5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine

C15H18N4O2 — CID 62192565

IUPAC5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc([N+](=O)[O-])c2)nc(C)c1C
InChIInChI=1S/C15H18N4O2/c1-4-8-16-14-10(2)11(3)17-15(18-14)12-6-5-7-13(9-12)19(20)21/h5-7,9H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyCXPNNSNJHODSNU-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.49
Rot. Bonds5

About 5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine

5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine (PubChem CID 62192565) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
PubChem CID62192565
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccc([N+](=O)[O-])c2)nc(C)c1C
InChIInChI=1S/C15H18N4O2/c1-4-8-16-14-10(2)11(3)17-15(18-14)12-6-5-7-13(9-12)19(20)21/h5-7,9H,4,8H2,1-3H3,(H,16,17,18)
InChIKeyCXPNNSNJHODSNU-UHFFFAOYSA-N
XLogP3.49
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.49
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

5-iodo-6-methyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 66305532
5-bromo-N-ethyl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine
CID 66305276
6-ethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 62192344
3-(3-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 55095768
N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine
CID 62192376
4-chloro-6-ethyl-5-methyl-2-(3-nitrophenyl)pyrimidine
CID 63548439
2-(2,6-dichlorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63480505
2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 63486280
5-methyl-6-(3-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80878595
5-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 39069481
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
N-[[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62545156

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine (CID 62192565) is 5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cccc([N+](=O)[O-])c2)nc(C)c1C.
What is the InChIKey of 5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine?
The InChIKey is CXPNNSNJHODSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-8-16-14-10(2)11(3)17-15(18-14)12-6-5-7-13(9-12)19(20)21/h5-7,9H,4,8H2,1-3H3,(H,16,17,18).
What are the key properties of 5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine?
5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine has a molecular weight of 286.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62192565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).