2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C19H20N8O — CID 169150911

IUPAC2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(c4cnc(CN)nc4)C3)nc21
InChIInChI=1S/C19H20N8O/c1-28-14-4-2-3-13-16(14)24-19(21)27-18(13)25-17(26-27)11-5-10(6-11)12-8-22-15(7-20)23-9-12/h2-4,8-11H,5-7,20H2,1H3,(H2,21,24)
InChIKeyHQRPMTJRPMUKDG-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.78
Rot. Bonds4

About 2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 169150911) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID169150911
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C3CC(c4cnc(CN)nc4)C3)nc21
InChIInChI=1S/C19H20N8O/c1-28-14-4-2-3-13-16(14)24-19(21)27-18(13)25-17(26-27)11-5-10(6-11)12-8-22-15(7-20)23-9-12/h2-4,8-11H,5-7,20H2,1H3,(H2,21,24)
InChIKeyHQRPMTJRPMUKDG-UHFFFAOYSA-N
XLogP1.78
TPSA130.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 169150911) is 2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(C3CC(c4cnc(CN)nc4)C3)nc21.
What is the InChIKey of 2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is HQRPMTJRPMUKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-28-14-4-2-3-13-16(14)24-19(21)27-18(13)25-17(26-27)11-5-10(6-11)12-8-22-15(7-20)23-9-12/h2-4,8-11H,5-7,20H2,1H3,(H2,21,24).
What are the key properties of 2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 376.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 169150911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).