2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C14H22N4O — CID 146043801

IUPAC2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1(C)CCC(N2CCc3c(nc(N)[nH]c3=O)C2)C1
InChIInChI=1S/C14H22N4O/c1-14(2)5-3-9(7-14)18-6-4-10-11(8-18)16-13(15)17-12(10)19/h9H,3-8H2,1-2H3,(H3,15,16,17,19)
InChIKeyXGEIMXORQRSLKK-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.29
Rot. Bonds1

About 2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 146043801) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID146043801
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1(C)CCC(N2CCc3c(nc(N)[nH]c3=O)C2)C1
InChIInChI=1S/C14H22N4O/c1-14(2)5-3-9(7-14)18-6-4-10-11(8-18)16-13(15)17-12(10)19/h9H,3-8H2,1-2H3,(H3,15,16,17,19)
InChIKeyXGEIMXORQRSLKK-UHFFFAOYSA-N
XLogP1.29
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 146043801) is 2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1(C)CCC(N2CCc3c(nc(N)[nH]c3=O)C2)C1.
What is the InChIKey of 2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is XGEIMXORQRSLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2)5-3-9(7-14)18-6-4-10-11(8-18)16-13(15)17-12(10)19/h9H,3-8H2,1-2H3,(H3,15,16,17,19).
What are the key properties of 2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 262.36 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(3,3-dimethylcyclopentyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 146043801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).