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

C15H18ClN5O2 — CID 135450417

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 135450417) 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 CID135450417
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

1-(5-chloro-2-methoxyphenyl)-2-[4-[(4-chlorophenyl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]guanidine
CID 135538304
2-[4-[(4-chlorophenyl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]-1-(2-methoxyphenyl)guanidine
CID 136824253
1-(3-chloro-2-methylphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine
CID 135996106
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135552291
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine
CID 135541631
methyl 2-[2-[[amino-(2-methoxyanilino)methylidene]amino]-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135406769
1-(4-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
CID 136601444
2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
CID 135883199
4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136778998
2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-6-oxo-1H-pyrimidin-2-yl]-1-(2-methoxyphenyl)guanidine
CID 135432334
1-(3,5-dichlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
CID 136510615
N-(5-chloro-2-methoxyphenyl)-2-[(7-oxo-5-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
CID 135732078

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 135450417) 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 135450417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).