N-(2,4-diaminopyrimidin-5-yl)formamide

C5H7N5O — CID 14078496

IUPACN-(2,4-diaminopyrimidin-5-yl)formamide
SMILESNc1ncc(NC=O)c(N)n1
InChIInChI=1S/C5H7N5O/c6-4-3(9-2-11)1-8-5(7)10-4/h1-2H,(H,9,11)(H4,6,7,8,10)
InChIKeyQETKZJMZDPJBOZ-UHFFFAOYSA-N
MW153.15 g/mol
LogP-0.79
Rot. Bonds2

About N-(2,4-diaminopyrimidin-5-yl)formamide

N-(2,4-diaminopyrimidin-5-yl)formamide (PubChem CID 14078496) has the molecular formula C5H7N5O and a molecular weight of 153.15 g/mol. Its IUPAC name is N-(2,4-diaminopyrimidin-5-yl)formamide.

Molecular Properties

Compound NameN-(2,4-diaminopyrimidin-5-yl)formamide
PubChem CID14078496
Molecular FormulaC5H7N5O
Molecular Weight153.15 g/mol
Exact Mass153.07
IUPAC NameN-(2,4-diaminopyrimidin-5-yl)formamide
SMILESNc1ncc(NC=O)c(N)n1
InChIInChI=1S/C5H7N5O/c6-4-3(9-2-11)1-8-5(7)10-4/h1-2H,(H,9,11)(H4,6,7,8,10)
InChIKeyQETKZJMZDPJBOZ-UHFFFAOYSA-N
XLogP-0.79
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diaminopyrimidin-5-yl)formamide?
The IUPAC name of N-(2,4-diaminopyrimidin-5-yl)formamide (CID 14078496) is N-(2,4-diaminopyrimidin-5-yl)formamide.
What is the SMILES notation for N-(2,4-diaminopyrimidin-5-yl)formamide?
The canonical SMILES for N-(2,4-diaminopyrimidin-5-yl)formamide is Nc1ncc(NC=O)c(N)n1.
What is the InChIKey of N-(2,4-diaminopyrimidin-5-yl)formamide?
The InChIKey is QETKZJMZDPJBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O/c6-4-3(9-2-11)1-8-5(7)10-4/h1-2H,(H,9,11)(H4,6,7,8,10).
What are the key properties of N-(2,4-diaminopyrimidin-5-yl)formamide?
N-(2,4-diaminopyrimidin-5-yl)formamide has a molecular weight of 153.15 g/mol, XLogP of -0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diaminopyrimidin-5-yl)formamide is sourced from PubChem (CID 14078496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).