N-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide

C6H7ClN4O — CID 23378924

IUPACN-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide
SMILESCc1nc(N)nc(Cl)c1NC=O
InChIInChI=1S/C6H7ClN4O/c1-3-4(9-2-12)5(7)11-6(8)10-3/h2H,1H3,(H,9,12)(H2,8,10,11)
InChIKeyBEZWLTCAUYFBAL-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.59
Rot. Bonds2

About N-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide

N-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide (PubChem CID 23378924) has the molecular formula C6H7ClN4O and a molecular weight of 186.60 g/mol. Its IUPAC name is N-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide.

Molecular Properties

Compound NameN-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide
PubChem CID23378924
Molecular FormulaC6H7ClN4O
Molecular Weight186.60 g/mol
Exact Mass186.03
IUPAC NameN-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide
SMILESCc1nc(N)nc(Cl)c1NC=O
InChIInChI=1S/C6H7ClN4O/c1-3-4(9-2-12)5(7)11-6(8)10-3/h2H,1H3,(H,9,12)(H2,8,10,11)
InChIKeyBEZWLTCAUYFBAL-UHFFFAOYSA-N
XLogP0.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-amino-4-chloro-6-methylpyrimidin-5-yl)formamide?
The IUPAC name of N-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide (CID 23378924) is N-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide.
What is the SMILES notation for N-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide?
The canonical SMILES for N-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide is Cc1nc(N)nc(Cl)c1NC=O.
What is the InChIKey of N-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide?
The InChIKey is BEZWLTCAUYFBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN4O/c1-3-4(9-2-12)5(7)11-6(8)10-3/h2H,1H3,(H,9,12)(H2,8,10,11).
What are the key properties of N-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide?
N-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide has a molecular weight of 186.60 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chloro-6-methylpyrimidin-5-yl)formamide is sourced from PubChem (CID 23378924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).