2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C13H21ClN4 — CID 115144745

IUPAC2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCC(C)(C)CCNc1nc(Cl)nc2c1CNCC2
InChIInChI=1S/C13H21ClN4/c1-13(2,3)5-7-16-11-9-8-15-6-4-10(9)17-12(14)18-11/h15H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyJYKURWMZTWWXTR-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.62
Rot. Bonds3

About 2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 115144745) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID115144745
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCC(C)(C)CCNc1nc(Cl)nc2c1CNCC2
InChIInChI=1S/C13H21ClN4/c1-13(2,3)5-7-16-11-9-8-15-6-4-10(9)17-12(14)18-11/h15H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyJYKURWMZTWWXTR-UHFFFAOYSA-N
XLogP2.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 115144745) is 2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CC(C)(C)CCNc1nc(Cl)nc2c1CNCC2.
What is the InChIKey of 2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is JYKURWMZTWWXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-13(2,3)5-7-16-11-9-8-15-6-4-10(9)17-12(14)18-11/h15H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 115144745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).