1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine

C19H25N5O — CID 58638806

IUPAC1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
SMILESCOc1cc(C)nc(/N=C(\N)Nc2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C19H25N5O/c1-13-12-17(25-2)23-19(21-13)24-18(20)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyBJJKXMBFGCNHEB-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.90
Rot. Bonds4

About 1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine

1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine (PubChem CID 58638806) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
PubChem CID58638806
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
SMILESCOc1cc(C)nc(/N=C(\N)Nc2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C19H25N5O/c1-13-12-17(25-2)23-19(21-13)24-18(20)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyBJJKXMBFGCNHEB-UHFFFAOYSA-N
XLogP3.90
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
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-cyclohexyl-2-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 58638779
1-(3-benzylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
CID 58638846
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine
CID 11537543
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-pentylphenyl)guanidine
CID 58638776
(4-cyclopentylphenyl)urea
CID 130193151
propan-2-yl 2-[4-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]acetate
CID 2926873
1-(3,4-dichlorophenyl)-2-[4-methyl-6-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]guanidine
CID 122489224
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4318963
N-(4-cyclohexylphenyl)-6-methoxynaphthalene-2-carboxamide;formic acid
CID 143736672
1-(4-bromophenyl)-2-[4-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyrimidin-2-yl]guanidine
CID 75041890
2-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-1-(4-methylphenyl)guanidine
CID 85039824
(3R)-N-(4-tert-butylphenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1443903

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine?
The IUPAC name of 1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine (CID 58638806) is 1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine is COc1cc(C)nc(/N=C(\N)Nc2ccc(C3CCCCC3)cc2)n1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine?
The InChIKey is BJJKXMBFGCNHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-12-17(25-2)23-19(21-13)24-18(20)22-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-12,14H,3-7H2,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine?
1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine has a molecular weight of 339.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine is sourced from PubChem (CID 58638806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).