N-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C19H25N3O3 — CID 57403515

IUPACN-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCC2CCCCC2)C(c2cccc(O)c2)NC(=O)N1
InChIInChI=1S/C19H25N3O3/c1-12-16(18(24)20-11-13-6-3-2-4-7-13)17(22-19(25)21-12)14-8-5-9-15(23)10-14/h5,8-10,13,17,23H,2-4,6-7,11H2,1H3,(H,20,24)(H2,21,22,25)
InChIKeyKERXKUIEPORTSV-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.72
Rot. Bonds4

About N-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 57403515) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID57403515
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCC2CCCCC2)C(c2cccc(O)c2)NC(=O)N1
InChIInChI=1S/C19H25N3O3/c1-12-16(18(24)20-11-13-6-3-2-4-7-13)17(22-19(25)21-12)14-8-5-9-15(23)10-14/h5,8-10,13,17,23H,2-4,6-7,11H2,1H3,(H,20,24)(H2,21,22,25)
InChIKeyKERXKUIEPORTSV-UHFFFAOYSA-N
XLogP2.72
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 57403515) is N-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCC2CCCCC2)C(c2cccc(O)c2)NC(=O)N1.
What is the InChIKey of N-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is KERXKUIEPORTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-16(18(24)20-11-13-6-3-2-4-7-13)17(22-19(25)21-12)14-8-5-9-15(23)10-14/h5,8-10,13,17,23H,2-4,6-7,11H2,1H3,(H,20,24)(H2,21,22,25).
What are the key properties of N-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 57403515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).