N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane

C24H29F2N5O3 — CID 144626570

IUPACN-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane
SMILESCOC.Cc1cnc(Nc2cc(F)c(N3CCOCC3)c(F)c2)nc1-c1cc2c(o1)CCNC2
InChIInChI=1S/C22H23F2N5O2.C2H6O/c1-13-11-26-22(28-20(13)19-8-14-12-25-3-2-18(14)31-19)27-15-9-16(23)21(17(24)10-15)29-4-6-30-7-5-29;1-3-2/h8-11,25H,2-7,12H2,1H3,(H,26,27,28);1-2H3
InChIKeySHKDUWXZYKOGIV-UHFFFAOYSA-N
MW473.52 g/mol
LogP3.81
Rot. Bonds4

About N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane

N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane (PubChem CID 144626570) has the molecular formula C24H29F2N5O3 and a molecular weight of 473.52 g/mol. Its IUPAC name is N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane.

Molecular Properties

Compound NameN-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane
PubChem CID144626570
Molecular FormulaC24H29F2N5O3
Molecular Weight473.52 g/mol
Exact Mass473.22
IUPAC NameN-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane
SMILESCOC.Cc1cnc(Nc2cc(F)c(N3CCOCC3)c(F)c2)nc1-c1cc2c(o1)CCNC2
InChIInChI=1S/C22H23F2N5O2.C2H6O/c1-13-11-26-22(28-20(13)19-8-14-12-25-3-2-18(14)31-19)27-15-9-16(23)21(17(24)10-15)29-4-6-30-7-5-29;1-3-2/h8-11,25H,2-7,12H2,1H3,(H,26,27,28);1-2H3
InChIKeySHKDUWXZYKOGIV-UHFFFAOYSA-N
XLogP3.81
TPSA84.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane with MolForge

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Related Compounds

5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine
CID 90165845
5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine
CID 90165813
3-[2-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carbonyl]benzonitrile
CID 155529301
(3Z)-5-N-(2-methoxyethyl)-5-N-methyl-2-N-[4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)-5-(trifluoromethyl)pyrimidin-2-yl]hexa-1,3,5-triene-2,5-diamine
CID 144626491
5-fluoro-N-(3-fluoro-4-morpholin-4-ylphenyl)-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 68687886
5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117078807
4-(5-benzyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrimidin-2-amine
CID 90165844
5-methyl-N-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-4-(6-methylsulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)pyrimidin-2-amine
CID 86271280
N-(2,6-dimethylphenyl)-4-[[5-methyl-4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]benzamide
CID 72725627
5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117077966
5-methyl-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-4-(6-propylsulfonyl-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl)pyrimidin-2-amine
CID 86271639
5-[[4-[4-(cyanomethylcarbamoyl)phenyl]-5-methylpyrimidin-2-yl]amino]-2-morpholin-4-ylbenzenecarbothioic S-acid
CID 87602363

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane?
The IUPAC name of N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane (CID 144626570) is N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane.
What is the SMILES notation for N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane?
The canonical SMILES for N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane is COC.Cc1cnc(Nc2cc(F)c(N3CCOCC3)c(F)c2)nc1-c1cc2c(o1)CCNC2.
What is the InChIKey of N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane?
The InChIKey is SHKDUWXZYKOGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O2.C2H6O/c1-13-11-26-22(28-20(13)19-8-14-12-25-3-2-18(14)31-19)27-15-9-16(23)21(17(24)10-15)29-4-6-30-7-5-29;1-3-2/h8-11,25H,2-7,12H2,1H3,(H,26,27,28);1-2H3.
What are the key properties of N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane?
N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane has a molecular weight of 473.52 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-morpholin-4-ylphenyl)-5-methyl-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine;methoxymethane is sourced from PubChem (CID 144626570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).