4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile

C6H6N4O — CID 22476550

IUPAC4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(CO)nc1N
InChIInChI=1S/C6H6N4O/c7-1-4-2-9-5(3-11)10-6(4)8/h2,11H,3H2,(H2,8,9,10)
InChIKeyDUSFWQIDUQTUAV-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.58
Rot. Bonds1

About 4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile

4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile (PubChem CID 22476550) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile
PubChem CID22476550
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(CO)nc1N
InChIInChI=1S/C6H6N4O/c7-1-4-2-9-5(3-11)10-6(4)8/h2,11H,3H2,(H2,8,9,10)
InChIKeyDUSFWQIDUQTUAV-UHFFFAOYSA-N
XLogP-0.58
TPSA95.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile (CID 22476550) is 4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile is N#Cc1cnc(CO)nc1N.
What is the InChIKey of 4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile?
The InChIKey is DUSFWQIDUQTUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-1-4-2-9-5(3-11)10-6(4)8/h2,11H,3H2,(H2,8,9,10).
What are the key properties of 4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile?
4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile has a molecular weight of 150.14 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(hydroxymethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 22476550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).