2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine

C25H30N6O3 — CID 172759934

IUPAC2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1cc(-c2oc(C)nc2C)ccc1C1(N)N=Cc2cc(C)nc(NC3CCOCC3)c2N1
InChIInChI=1S/C25H30N6O3/c1-14-11-18-13-27-25(26,31-22(18)24(28-14)30-19-7-9-33-10-8-19)20-6-5-17(12-21(20)32-4)23-15(2)29-16(3)34-23/h5-6,11-13,19,31H,7-10,26H2,1-4H3,(H,28,30)
InChIKeyLNTIAMZDVVCNCB-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.87
Rot. Bonds5

About 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine

2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine (PubChem CID 172759934) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine.

Molecular Properties

Compound Name2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
PubChem CID172759934
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine
SMILESCOc1cc(-c2oc(C)nc2C)ccc1C1(N)N=Cc2cc(C)nc(NC3CCOCC3)c2N1
InChIInChI=1S/C25H30N6O3/c1-14-11-18-13-27-25(26,31-22(18)24(28-14)30-19-7-9-33-10-8-19)20-6-5-17(12-21(20)32-4)23-15(2)29-16(3)34-23/h5-6,11-13,19,31H,7-10,26H2,1-4H3,(H,28,30)
InChIKeyLNTIAMZDVVCNCB-UHFFFAOYSA-N
XLogP3.87
TPSA119.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine?
The IUPAC name of 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine (CID 172759934) is 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine.
What is the SMILES notation for 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine?
The canonical SMILES for 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine is COc1cc(-c2oc(C)nc2C)ccc1C1(N)N=Cc2cc(C)nc(NC3CCOCC3)c2N1.
What is the InChIKey of 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine?
The InChIKey is LNTIAMZDVVCNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-14-11-18-13-27-25(26,31-22(18)24(28-14)30-19-7-9-33-10-8-19)20-6-5-17(12-21(20)32-4)23-15(2)29-16(3)34-23/h5-6,11-13,19,31H,7-10,26H2,1-4H3,(H,28,30).
What are the key properties of 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine?
2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine has a molecular weight of 462.55 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-6-methyl-8-N-(oxan-4-yl)-1H-pyrido[3,4-d]pyrimidine-2,8-diamine is sourced from PubChem (CID 172759934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).