N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide

C11H10ClN5O2 — CID 135496583

IUPACN-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide
SMILESNc1nc(Nc2ccc(Cl)cc2)c(NC=O)c(=O)[nH]1
InChIInChI=1S/C11H10ClN5O2/c12-6-1-3-7(4-2-6)15-9-8(14-5-18)10(19)17-11(13)16-9/h1-5H,(H,14,18)(H4,13,15,16,17,19)
InChIKeyKDCRAHKZAPQYCJ-UHFFFAOYSA-N
MW279.69 g/mol
LogP1.32
Rot. Bonds4

About N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide

N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide (PubChem CID 135496583) has the molecular formula C11H10ClN5O2 and a molecular weight of 279.69 g/mol. Its IUPAC name is N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide
PubChem CID135496583
Molecular FormulaC11H10ClN5O2
Molecular Weight279.69 g/mol
Exact Mass279.05
IUPAC NameN-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide
SMILESNc1nc(Nc2ccc(Cl)cc2)c(NC=O)c(=O)[nH]1
InChIInChI=1S/C11H10ClN5O2/c12-6-1-3-7(4-2-6)15-9-8(14-5-18)10(19)17-11(13)16-9/h1-5H,(H,14,18)(H4,13,15,16,17,19)
InChIKeyKDCRAHKZAPQYCJ-UHFFFAOYSA-N
XLogP1.32
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 51.32
H-Bond Donors ≤ 54
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-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The IUPAC name of N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide (CID 135496583) is N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The canonical SMILES for N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide is Nc1nc(Nc2ccc(Cl)cc2)c(NC=O)c(=O)[nH]1.
What is the InChIKey of N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The InChIKey is KDCRAHKZAPQYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O2/c12-6-1-3-7(4-2-6)15-9-8(14-5-18)10(19)17-11(13)16-9/h1-5H,(H,14,18)(H4,13,15,16,17,19).
What are the key properties of N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide?
N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide has a molecular weight of 279.69 g/mol, XLogP of 1.32, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide is sourced from PubChem (CID 135496583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).