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

C22H25N5O2 — CID 90165845

IUPAC5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1cc2c(o1)CCNC2
InChIInChI=1S/C22H25N5O2/c1-15-13-24-22(26-21(15)20-12-16-14-23-7-6-19(16)29-20)25-17-2-4-18(5-3-17)27-8-10-28-11-9-27/h2-5,12-13,23H,6-11,14H2,1H3,(H,24,25,26)
InChIKeyNJOITBSXORUQDM-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.27
Rot. Bonds4

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

5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine (PubChem CID 90165845) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine
PubChem CID90165845
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1cc2c(o1)CCNC2
InChIInChI=1S/C22H25N5O2/c1-15-13-24-22(26-21(15)20-12-16-14-23-7-6-19(16)29-20)25-17-2-4-18(5-3-17)27-8-10-28-11-9-27/h2-5,12-13,23H,6-11,14H2,1H3,(H,24,25,26)
InChIKeyNJOITBSXORUQDM-UHFFFAOYSA-N
XLogP3.27
TPSA75.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
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
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
N-[4-(4-methylpiperazin-1-yl)phenyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
CID 170324513
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
N-(2,6-dimethylphenyl)-4-[[5-methyl-4-(4-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]benzamide
CID 72725627
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
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
5-fluoro-4-(1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117078807
4-chloro-3-[[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenol
CID 155565534
5-fluoro-4-(3-fluoro-5-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 117077966
1-[3-[[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117090981

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine (CID 90165845) is 5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine is Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1cc2c(o1)CCNC2.
What is the InChIKey of 5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
The InChIKey is NJOITBSXORUQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-13-24-22(26-21(15)20-12-16-14-23-7-6-19(16)29-20)25-17-2-4-18(5-3-17)27-8-10-28-11-9-27/h2-5,12-13,23H,6-11,14H2,1H3,(H,24,25,26).
What are the key properties of 5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine?
5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine has a molecular weight of 391.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-morpholin-4-ylphenyl)-4-(4,5,6,7-tetrahydrofuro[3,2-c]pyridin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 90165845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).