N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine

C14H16N4O2 — CID 62192522

IUPACN-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C14H16N4O2/c1-9(2)12-8-13(15-3)17-14(16-12)10-4-6-11(7-5-10)18(19)20/h4-9H,1-3H3,(H,15,16,17)
InChIKeyQJMKCMSEOITFHC-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.22
Rot. Bonds4

About N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine

N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 62192522) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID62192522
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C14H16N4O2/c1-9(2)12-8-13(15-3)17-14(16-12)10-4-6-11(7-5-10)18(19)20/h4-9H,1-3H3,(H,15,16,17)
InChIKeyQJMKCMSEOITFHC-UHFFFAOYSA-N
XLogP3.22
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylsulfanylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 106849521
N-methyl-6-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62190941
N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62190394
(2S)-2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]propanoic acid
CID 122049460
2,2-dimethyl-N-[2-[[6-methyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]ethyl]propanamide
CID 133326858
N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine
CID 60567693
(2S)-2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 71861501
N-ethyl-6-propan-2-yl-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63485062
N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190595
N-methyl-2-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191053
N-methyl-7-nitroquinoxalin-2-amine
CID 119087544
3-(4-nitrophenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268596

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine (CID 62192522) is N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine is CNc1cc(C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is QJMKCMSEOITFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9(2)12-8-13(15-3)17-14(16-12)10-4-6-11(7-5-10)18(19)20/h4-9H,1-3H3,(H,15,16,17).
What are the key properties of N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine?
N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 272.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62192522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).