N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine

C24H29N7O — CID 159726779

IUPACN-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine
SMILESCOc1cc(-c2cnnn2C)ccc1Cc1ncc2cc(C)nc(NCC(C)(C)C)c2n1
InChIInChI=1S/C24H29N7O/c1-15-9-18-12-25-21(29-22(18)23(28-15)26-14-24(2,3)4)11-17-8-7-16(10-20(17)32-6)19-13-27-30-31(19)5/h7-10,12-13H,11,14H2,1-6H3,(H,26,28)
InChIKeyNASRMWMCEPDZQO-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.19
Rot. Bonds6

About N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine

N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine (PubChem CID 159726779) has the molecular formula C24H29N7O and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine
PubChem CID159726779
Molecular FormulaC24H29N7O
Molecular Weight431.54 g/mol
Exact Mass431.24
IUPAC NameN-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine
SMILESCOc1cc(-c2cnnn2C)ccc1Cc1ncc2cc(C)nc(NCC(C)(C)C)c2n1
InChIInChI=1S/C24H29N7O/c1-15-9-18-12-25-21(29-22(18)23(28-15)26-14-24(2,3)4)11-17-8-7-16(10-20(17)32-6)19-13-27-30-31(19)5/h7-10,12-13H,11,14H2,1-6H3,(H,26,28)
InChIKeyNASRMWMCEPDZQO-UHFFFAOYSA-N
XLogP4.19
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine (CID 159726779) is N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine is COc1cc(-c2cnnn2C)ccc1Cc1ncc2cc(C)nc(NCC(C)(C)C)c2n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine?
The InChIKey is NASRMWMCEPDZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O/c1-15-9-18-12-25-21(29-22(18)23(28-15)26-14-24(2,3)4)11-17-8-7-16(10-20(17)32-6)19-13-27-30-31(19)5/h7-10,12-13H,11,14H2,1-6H3,(H,26,28).
What are the key properties of N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine?
N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine has a molecular weight of 431.54 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-[[2-methoxy-4-(3-methyltriazol-4-yl)phenyl]methyl]-6-methylpyrido[3,4-d]pyrimidin-8-amine is sourced from PubChem (CID 159726779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).