6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine

C18H17N5O2 — CID 47053519

IUPAC6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCc2cccnc2)nc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C18H17N5O2/c1-13-10-17(20-9-7-14-4-3-8-19-12-14)22-18(21-13)15-5-2-6-16(11-15)23(24)25/h2-6,8,10-12H,7,9H2,1H3,(H,20,21,22)
InChIKeyZXWDJBPXNOOBJT-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.41
Rot. Bonds6

About 6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine

6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine (PubChem CID 47053519) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
PubChem CID47053519
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
SMILESCc1cc(NCCc2cccnc2)nc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C18H17N5O2/c1-13-10-17(20-9-7-14-4-3-8-19-12-14)22-18(21-13)15-5-2-6-16(11-15)23(24)25/h2-6,8,10-12H,7,9H2,1H3,(H,20,21,22)
InChIKeyZXWDJBPXNOOBJT-UHFFFAOYSA-N
XLogP3.41
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N'-methyl-N-[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]-N'-propan-2-ylethane-1,2-diamine
CID 133301357
6-methyl-2-(3-nitrophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine
CID 47053364
4-methyl-N-[2-[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 52675329
N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine
CID 55735453
6-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2-(3-nitrophenyl)pyrimidin-4-amine
CID 133411695
6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 80718289
methyl 2-methyl-3-[[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]amino]propanoate
CID 133301364
6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-nitrophenyl)pyrimidin-4-amine
CID 55735395
6-methyl-N-(2-pyridin-3-ylethyl)-2-(2,3,5-trifluorophenyl)pyrimidin-4-amine
CID 91258180
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
2-chloro-4-nitro-N-(2-pyridin-3-ylethyl)aniline
CID 31408601
6-methyl-2-(3-nitrophenyl)-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 133278104

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine (CID 47053519) is 6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine is Cc1cc(NCCc2cccnc2)nc(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
The InChIKey is ZXWDJBPXNOOBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-13-10-17(20-9-7-14-4-3-8-19-12-14)22-18(21-13)15-5-2-6-16(11-15)23(24)25/h2-6,8,10-12H,7,9H2,1H3,(H,20,21,22).
What are the key properties of 6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine?
6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine has a molecular weight of 335.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 47053519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).