1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine

C15H18ClN5O2 — CID 135401678

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine
SMILESCCCc1cc(=O)[nH]c(/N=C(\N)Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C15H18ClN5O2/c1-3-4-10-8-13(22)20-15(18-10)21-14(17)19-11-7-9(16)5-6-12(11)23-2/h5-8H,3-4H2,1-2H3,(H4,17,18,19,20,21,22)
InChIKeyJKNXEQIXXRWNLI-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.44
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine

1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine (PubChem CID 135401678) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine
PubChem CID135401678
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine
SMILESCCCc1cc(=O)[nH]c(/N=C(\N)Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C15H18ClN5O2/c1-3-4-10-8-13(22)20-15(18-10)21-14(17)19-11-7-9(16)5-6-12(11)23-2/h5-8H,3-4H2,1-2H3,(H4,17,18,19,20,21,22)
InChIKeyJKNXEQIXXRWNLI-UHFFFAOYSA-N
XLogP2.44
TPSA105.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 742626
CID 742626
CID 3753055
CID 3753055
CID 135426058
CID 135426058
CID 135519493
CID 135519493
CID 6467940
CID 6467940
CID 295372
CID 295372
CID 781617
CID 781617
CID 346203
CID 346203
CID 135401683
CID 135401683
CID 135408428
CID 135408428
CID 1158970
CID 1158970
CID 2211464
CID 2211464

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine (CID 135401678) is 1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine is CCCc1cc(=O)[nH]c(/N=C(\N)Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine?
The InChIKey is JKNXEQIXXRWNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-3-4-10-8-13(22)20-15(18-10)21-14(17)19-11-7-9(16)5-6-12(11)23-2/h5-8H,3-4H2,1-2H3,(H4,17,18,19,20,21,22).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine?
1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine has a molecular weight of 335.80 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine is sourced from PubChem (CID 135401678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).