2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one

C9H11N5O2 — CID 137234292

IUPAC2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one
SMILESNc1nc2ncc(CCCO)nc2c(=O)[nH]1
InChIInChI=1S/C9H11N5O2/c10-9-13-7-6(8(16)14-9)12-5(4-11-7)2-1-3-15/h4,15H,1-3H2,(H3,10,11,13,14,16)
InChIKeyUSJZJLPIAYTUKJ-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.78
Rot. Bonds3

About 2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one

2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one (PubChem CID 137234292) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one
PubChem CID137234292
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one
SMILESNc1nc2ncc(CCCO)nc2c(=O)[nH]1
InChIInChI=1S/C9H11N5O2/c10-9-13-7-6(8(16)14-9)12-5(4-11-7)2-1-3-15/h4,15H,1-3H2,(H3,10,11,13,14,16)
InChIKeyUSJZJLPIAYTUKJ-UHFFFAOYSA-N
XLogP-0.78
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-amino-4-oxo-3H-pteridin-6-yl)-3-methylhexanoic acid
CID 158588014
4-[3-(2-amino-4-oxo-3H-pteridin-6-yl)propylamino]benzoic acid
CID 135481227
2-amino-6-(2-phenylethyl)-3H-pteridin-4-one
CID 135840208
2-amino-6-(hydroxymethyl)-3H-pteridin-4-one;phosphono dihydrogen phosphate
CID 135764586
2-amino-6-[(1-hydroxyethylamino)methyl]-3H-pteridin-4-one
CID 163537979
ethyl 4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]benzoate
CID 135692615
2-amino-6-(1,2,3-trihydroxypropyl)-3H-pteridin-4-one
CID 135408877
methyl 4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethylsulfanyl]benzoate
CID 136502411
2-amino-4-oxo-3H-pteridine-6-carbaldehyde
CID 135409352
4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoate
CID 135510645
azanium 4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoate
CID 141323082
2-[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]phenyl]-2-oxoacetic acid
CID 136660568

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one (CID 137234292) is 2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one is Nc1nc2ncc(CCCO)nc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one?
The InChIKey is USJZJLPIAYTUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c10-9-13-7-6(8(16)14-9)12-5(4-11-7)2-1-3-15/h4,15H,1-3H2,(H3,10,11,13,14,16).
What are the key properties of 2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one?
2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one has a molecular weight of 221.22 g/mol, XLogP of -0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one is sourced from PubChem (CID 137234292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).