N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C15H23N7 — CID 95210945

IUPACN-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)C[C@@H](Nc1ncnc2c1CCNC2)c1ncnn1C
InChIInChI=1S/C15H23N7/c1-10(2)6-12(15-19-9-20-22(15)3)21-14-11-4-5-16-7-13(11)17-8-18-14/h8-10,12,16H,4-7H2,1-3H3,(H,17,18,21)/t12-/m1/s1
InChIKeyUYYYXQFVXDWANH-GFCCVEGCSA-N
MW301.40 g/mol
LogP1.45
Rot. Bonds5

About N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 95210945) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID95210945
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC NameN-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCC(C)C[C@@H](Nc1ncnc2c1CCNC2)c1ncnn1C
InChIInChI=1S/C15H23N7/c1-10(2)6-12(15-19-9-20-22(15)3)21-14-11-4-5-16-7-13(11)17-8-18-14/h8-10,12,16H,4-7H2,1-3H3,(H,17,18,21)/t12-/m1/s1
InChIKeyUYYYXQFVXDWANH-GFCCVEGCSA-N
XLogP1.45
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 95210945) is N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CC(C)C[C@@H](Nc1ncnc2c1CCNC2)c1ncnn1C.
What is the InChIKey of N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is UYYYXQFVXDWANH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N7/c1-10(2)6-12(15-19-9-20-22(15)3)21-14-11-4-5-16-7-13(11)17-8-18-14/h8-10,12,16H,4-7H2,1-3H3,(H,17,18,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 301.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95210945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).