N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide

C17H21N5O2 — CID 109251154

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCc1cc(Nc2ncc(C(=O)NCCC3=CCCCC3)cn2)no1
InChIInChI=1S/C17H21N5O2/c1-12-9-15(22-24-12)21-17-19-10-14(11-20-17)16(23)18-8-7-13-5-3-2-4-6-13/h5,9-11H,2-4,6-8H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyIOSLOWZDLBRYKN-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.14
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide (PubChem CID 109251154) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
PubChem CID109251154
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCc1cc(Nc2ncc(C(=O)NCCC3=CCCCC3)cn2)no1
InChIInChI=1S/C17H21N5O2/c1-12-9-15(22-24-12)21-17-19-10-14(11-20-17)16(23)18-8-7-13-5-3-2-4-6-13/h5,9-11H,2-4,6-8H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyIOSLOWZDLBRYKN-UHFFFAOYSA-N
XLogP3.14
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109103388
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071
N-[2-(cyclohexen-1-yl)ethyl]-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108943052
2-(3-chloro-4-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide
CID 109251104
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109251111
N-[2-(cyclohexen-1-yl)ethyl]-2-(propylamino)pyrimidine-5-carboxamide
CID 109246675
ethyl 4-[[5-[2-(cyclohexen-1-yl)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109251137
2-(cycloheptylamino)-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-5-carboxamide
CID 109251062
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109251112
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109251184
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251021

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide (CID 109251154) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide is Cc1cc(Nc2ncc(C(=O)NCCC3=CCCCC3)cn2)no1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is IOSLOWZDLBRYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-9-15(22-24-12)21-17-19-10-14(11-20-17)16(23)18-8-7-13-5-3-2-4-6-13/h5,9-11H,2-4,6-8H2,1H3,(H,18,23)(H,19,20,21,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109251154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).