2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one

C10H9ClN4O — CID 135408518

IUPAC2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccccc2Cl)cc(=O)[nH]1
InChIInChI=1S/C10H9ClN4O/c11-6-3-1-2-4-7(6)13-8-5-9(16)15-10(12)14-8/h1-5H,(H4,12,13,14,15,16)
InChIKeyOKEXHAWAMNCCIN-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.75
Rot. Bonds2

About 2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one

2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one (PubChem CID 135408518) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one
PubChem CID135408518
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one
SMILESNc1nc(Nc2ccccc2Cl)cc(=O)[nH]1
InChIInChI=1S/C10H9ClN4O/c11-6-3-1-2-4-7(6)13-8-5-9(16)15-10(12)14-8/h1-5H,(H4,12,13,14,15,16)
InChIKeyOKEXHAWAMNCCIN-UHFFFAOYSA-N
XLogP1.75
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one (CID 135408518) is 2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one is Nc1nc(Nc2ccccc2Cl)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one?
The InChIKey is OKEXHAWAMNCCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-6-3-1-2-4-7(6)13-8-5-9(16)15-10(12)14-8/h1-5H,(H4,12,13,14,15,16).
What are the key properties of 2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one?
2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one has a molecular weight of 236.66 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloroanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135408518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).