1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine

C13H14ClN5O2 — CID 135460614

IUPAC1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
SMILESCOCc1cc(=O)[nH]c(/N=C(\N)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN5O2/c1-21-7-10-6-11(20)18-13(17-10)19-12(15)16-9-4-2-3-8(14)5-9/h2-6H,7H2,1H3,(H4,15,16,17,18,19,20)
InChIKeyJVFOYKQPDDBBMW-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.63
Rot. Bonds4

About 1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine

1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine (PubChem CID 135460614) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
PubChem CID135460614
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine
SMILESCOCc1cc(=O)[nH]c(/N=C(\N)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN5O2/c1-21-7-10-6-11(20)18-13(17-10)19-12(15)16-9-4-2-3-8(14)5-9/h2-6H,7H2,1H3,(H4,15,16,17,18,19,20)
InChIKeyJVFOYKQPDDBBMW-UHFFFAOYSA-N
XLogP1.63
TPSA105.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.63
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

Guanidine, 1-(p-chlorophenyl)-3-(4-hydroxy-6-methyl-2-pyrimidinyl)-
CID 135408788
2-[(4-chlorophenyl)amino]-6-propylpyrimidin-4(3H)-one
CID 135472778
N-(2,6-difluorophenyl)-N'-[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]guanidine
CID 135473113
2-(4-chloro-anilino)-6-methyl-3H-pyrimidin-4-one
CID 135488566
1-(3-Chlorophenyl)-3-(1-methyl-4-oxopyrimidin-2-yl)urea
CID 70687689
2-amino-6-(3,4-dichloroanilino)-1H-pyrimidin-4-one
CID 135400927
2-amino-6-(2-chloroanilino)-1H-pyrimidin-4-one
CID 135408518
2-amino-4-(3,5-dichloroanilino)-1H-pyrimidin-6-one
CID 135449094
2-[(3,5-Dichlorophenyl)amino]-6-propyl-3-hydropyrimidin-4-one
CID 135546696
1-(4-Fluorophenyl)-3-(4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl)guanidine
CID 135490148
N-(3,4-dichlorophenyl)-N'-[4-hydroxy-6-(methoxymethyl)pyrimidin-2-yl]guanidine
CID 135473117
1-[4-(Methoxymethyl)-6-oxo-1,6-dihydropyrimidin-2-yl]-3-phenylguanidine
CID 135495518

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
The IUPAC name of 1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine (CID 135460614) is 1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
The canonical SMILES for 1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine is COCc1cc(=O)[nH]c(/N=C(\N)Nc2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
The InChIKey is JVFOYKQPDDBBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-21-7-10-6-11(20)18-13(17-10)19-12(15)16-9-4-2-3-8(14)5-9/h2-6H,7H2,1H3,(H4,15,16,17,18,19,20).
What are the key properties of 1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine?
1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine has a molecular weight of 307.74 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]guanidine is sourced from PubChem (CID 135460614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).