N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine

C17H18N4O2 — CID 133311735

IUPACN-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine
SMILESCc1cc(NC2CC=CCC2)nc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C17H18N4O2/c1-12-10-16(19-14-7-3-2-4-8-14)20-17(18-12)13-6-5-9-15(11-13)21(22)23/h2-3,5-6,9-11,14H,4,7-8H2,1H3,(H,18,19,20)
InChIKeyLSGGQGPGQQQLCC-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.88
Rot. Bonds4

About N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine

N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine (PubChem CID 133311735) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine
PubChem CID133311735
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine
SMILESCc1cc(NC2CC=CCC2)nc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C17H18N4O2/c1-12-10-16(19-14-7-3-2-4-8-14)20-17(18-12)13-6-5-9-15(11-13)21(22)23/h2-3,5-6,9-11,14H,4,7-8H2,1H3,(H,18,19,20)
InChIKeyLSGGQGPGQQQLCC-UHFFFAOYSA-N
XLogP3.88
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-(3-nitrophenyl)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133378040
6-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-(3-nitrophenyl)pyrimidin-4-amine
CID 133274248
6-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-(3-nitrophenyl)pyrimidin-4-amine
CID 133296105
N-[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133301843
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine
CID 97209341
6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-nitrophenyl)pyrimidin-4-amine
CID 55735395
(2R)-2-[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]butan-1-ol
CID 133434642
6-methyl-2-(3-nitrophenyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 133305893
6-methyl-2-(3-nitrophenyl)pyrimidine-4-carbaldehyde
CID 62742267
2,2,2-trifluoro-1-[4-[[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone
CID 133346925
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
N'-methyl-N-[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]-N'-propan-2-ylethane-1,2-diamine
CID 133301357

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine (CID 133311735) is N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine is Cc1cc(NC2CC=CCC2)nc(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine?
The InChIKey is LSGGQGPGQQQLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-10-16(19-14-7-3-2-4-8-14)20-17(18-12)13-6-5-9-15(11-13)21(22)23/h2-3,5-6,9-11,14H,4,7-8H2,1H3,(H,18,19,20).
What are the key properties of N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine?
N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine has a molecular weight of 310.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 133311735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).