(4-aminopyrimidin-5-yl)methanol;methane

C6H11N3O — CID 160757504

IUPAC(4-aminopyrimidin-5-yl)methanol;methane
SMILESC.Nc1ncncc1CO
InChIInChI=1S/C5H7N3O.CH4/c6-5-4(2-9)1-7-3-8-5;/h1,3,9H,2H2,(H2,6,7,8);1H4
InChIKeyRXPXHRHHGNRKDF-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.19
Rot. Bonds1

About (4-aminopyrimidin-5-yl)methanol;methane

(4-aminopyrimidin-5-yl)methanol;methane (PubChem CID 160757504) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (4-aminopyrimidin-5-yl)methanol;methane.

Molecular Properties

Compound Name(4-aminopyrimidin-5-yl)methanol;methane
PubChem CID160757504
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(4-aminopyrimidin-5-yl)methanol;methane
SMILESC.Nc1ncncc1CO
InChIInChI=1S/C5H7N3O.CH4/c6-5-4(2-9)1-7-3-8-5;/h1,3,9H,2H2,(H2,6,7,8);1H4
InChIKeyRXPXHRHHGNRKDF-UHFFFAOYSA-N
XLogP0.19
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 157174905
CID 157174905
(4-propan-2-ylpyrimidin-5-yl)methanol
CID 130163917
5-[2-(1-aminocyclopropyl)ethyl]pyrimidin-4-amine
CID 105437702
(4-cyclopropylpyrimidin-5-yl)methanol
CID 126972771
(2-amino-5-bromo-3-pyridinyl)methanol
CID 10891366
2-(4-aminopyrimidin-5-yl)ethyl formate
CID 174505971
2-amino-N-[(4-aminopyrimidin-5-yl)methyl]propanamide;hydrochloride
CID 130857894
(4-aminopyrimidin-5-yl)boronic acid
CID 66664909
4-aminopyrimidine-5-thiol
CID 91218144
[2-amino-5-(3-sulfanylprop-1-ynyl)-3-pyridinyl]methanol
CID 169486518
trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride
CID 173304149
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine
CID 14042005

Frequently Asked Questions

What is the IUPAC name of (4-aminopyrimidin-5-yl)methanol;methane?
The IUPAC name of (4-aminopyrimidin-5-yl)methanol;methane (CID 160757504) is (4-aminopyrimidin-5-yl)methanol;methane.
What is the SMILES notation for (4-aminopyrimidin-5-yl)methanol;methane?
The canonical SMILES for (4-aminopyrimidin-5-yl)methanol;methane is C.Nc1ncncc1CO.
What is the InChIKey of (4-aminopyrimidin-5-yl)methanol;methane?
The InChIKey is RXPXHRHHGNRKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.CH4/c6-5-4(2-9)1-7-3-8-5;/h1,3,9H,2H2,(H2,6,7,8);1H4.
What are the key properties of (4-aminopyrimidin-5-yl)methanol;methane?
(4-aminopyrimidin-5-yl)methanol;methane has a molecular weight of 141.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopyrimidin-5-yl)methanol;methane is sourced from PubChem (CID 160757504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).