6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

C22H26N6O2 — CID 46199743

IUPAC6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NC[C@@H]3CCCO3)c2C1
InChIInChI=1S/C22H26N6O2/c1-28-9-8-19-18(13-28)21(24-11-17-3-2-10-29-17)27-22(26-19)25-16-6-4-15(5-7-16)20-12-23-14-30-20/h4-7,12,14,17H,2-3,8-11,13H2,1H3,(H2,24,25,26,27)/t17-/m0/s1
InChIKeyDKLFAHZXLVWISN-KRWDZBQOSA-N
MW406.49 g/mol
LogP3.45
Rot. Bonds6

About 6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 46199743) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID46199743
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NC[C@@H]3CCCO3)c2C1
InChIInChI=1S/C22H26N6O2/c1-28-9-8-19-18(13-28)21(24-11-17-3-2-10-29-17)27-22(26-19)25-16-6-4-15(5-7-16)20-12-23-14-30-20/h4-7,12,14,17H,2-3,8-11,13H2,1H3,(H2,24,25,26,27)/t17-/m0/s1
InChIKeyDKLFAHZXLVWISN-KRWDZBQOSA-N
XLogP3.45
TPSA88.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 162625321
2-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 10309428
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(4-(oxazol-2-yl)phenyl)pyridin-2(1H)-one
CID 24879368
[2-Methoxy-6-(3-oxazol-5-yl-phenyl)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
CID 53324534
2-(1-amino-3-methylbutyl)-N-methyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
CID 121255746
2-(1-amino-3-methylbutyl)-N,N-dimethyl-6-(1,3-oxazol-5-yl)quinazolin-4-amine
CID 121255769
2-(1-Amino-3-methylbutyl)-6-(1,3-oxazol-5-yl)quinazoline-4-carbonitrile
CID 121255790
3-Methyl-1-[6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine
CID 121255889
1-[4-Ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
CID 121256032
3-Methyl-1-[4-methyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]butan-1-amine
CID 121263829
2-N-[3-fluoro-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-7-(4-fluorophenyl)-4-N,5,5-trimethyl-6H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 139430688
(5-Phenyl-oxazol-2-yl)-quinazolin-7-yl-amine
CID 44276665

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine (CID 46199743) is 6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine is CN1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(NC[C@@H]3CCCO3)c2C1.
What is the InChIKey of 6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is DKLFAHZXLVWISN-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-28-9-8-19-18(13-28)21(24-11-17-3-2-10-29-17)27-22(26-19)25-16-6-4-15(5-7-16)20-12-23-14-30-20/h4-7,12,14,17H,2-3,8-11,13H2,1H3,(H2,24,25,26,27)/t17-/m0/s1.
What are the key properties of 6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine?
6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 406.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[4-(1,3-oxazol-5-yl)phenyl]-4-N-[[(2S)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 46199743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).