2-(propylamino)-3H-pteridin-4-one

C9H11N5O — CID 141118544

IUPAC2-(propylamino)-3H-pteridin-4-one
SMILESCCCNc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C9H11N5O/c1-2-3-12-9-13-7-6(8(15)14-9)10-4-5-11-7/h4-5H,2-3H2,1H3,(H2,11,12,13,14,15)
InChIKeyACZBZNLWWWXOBE-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.54
Rot. Bonds3

About 2-(propylamino)-3H-pteridin-4-one

2-(propylamino)-3H-pteridin-4-one (PubChem CID 141118544) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(propylamino)-3H-pteridin-4-one.

Molecular Properties

Compound Name2-(propylamino)-3H-pteridin-4-one
PubChem CID141118544
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-(propylamino)-3H-pteridin-4-one
SMILESCCCNc1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C9H11N5O/c1-2-3-12-9-13-7-6(8(15)14-9)10-4-5-11-7/h4-5H,2-3H2,1H3,(H2,11,12,13,14,15)
InChIKeyACZBZNLWWWXOBE-UHFFFAOYSA-N
XLogP0.54
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 172754985
CID 172754985
9-methyl-2-(propylamino)-1H-purin-6-one
CID 170237995
2-hydrazinyl-3H-pteridin-4-one;2-hydroxyacetic acid
CID 175444308
3-methyl-5-(propylamino)-6H-triazolo[4,5-d]pyrimidin-7-one
CID 170237990
2-amino-3H-pteridin-4-one;methanamine
CID 146301753
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
N-propyl-7H-purin-8-amine
CID 54527137
2-amino-3H-pteridin-4-one;azane
CID 174295951
2-(3-aminopropylamino)-6,7-dimethyl-3H-pteridin-4-one
CID 136814266
6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one
CID 103331625
2-piperidin-1-yl-3H-pteridin-4-one
CID 137198974
5,7-dimethyl-2-(propylamino)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 170237991

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-3H-pteridin-4-one?
The IUPAC name of 2-(propylamino)-3H-pteridin-4-one (CID 141118544) is 2-(propylamino)-3H-pteridin-4-one.
What is the SMILES notation for 2-(propylamino)-3H-pteridin-4-one?
The canonical SMILES for 2-(propylamino)-3H-pteridin-4-one is CCCNc1nc2nccnc2c(=O)[nH]1.
What is the InChIKey of 2-(propylamino)-3H-pteridin-4-one?
The InChIKey is ACZBZNLWWWXOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-2-3-12-9-13-7-6(8(15)14-9)10-4-5-11-7/h4-5H,2-3H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 2-(propylamino)-3H-pteridin-4-one?
2-(propylamino)-3H-pteridin-4-one has a molecular weight of 205.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-3H-pteridin-4-one is sourced from PubChem (CID 141118544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).