2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine

C11H17ClN4O2 — CID 114043145

IUPAC2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
SMILESCCN(CC(C)C)c1nc(Cl)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H17ClN4O2/c1-5-15(6-7(2)3)10-9(16(17)18)8(4)13-11(12)14-10/h7H,5-6H2,1-4H3
InChIKeyWUTMHIILKLDMMO-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.83
Rot. Bonds5

About 2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine

2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine (PubChem CID 114043145) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
PubChem CID114043145
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
SMILESCCN(CC(C)C)c1nc(Cl)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H17ClN4O2/c1-5-15(6-7(2)3)10-9(16(17)18)8(4)13-11(12)14-10/h7H,5-6H2,1-4H3
InChIKeyWUTMHIILKLDMMO-UHFFFAOYSA-N
XLogP2.83
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.83
H-Bond Donors ≤ 50
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

6-chloro-2-N,4-N,4-N-triethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62864543
2,4-dichloro-6-methyl-5-nitropyrimidine
CID 131668662
N-butyl-2-chloro-N-cyclopropyl-6-methyl-5-nitropyrimidin-4-amine
CID 114043194
4-N,6-dimethyl-4-N-(2-methylbutyl)-5-nitropyrimidine-2,4-diamine
CID 114044301
ethane;methyl 2-[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-methylamino]-3-methylbutanoate
CID 153355454
6-chloro-2-N-ethyl-4-N,4-N-dimethyl-2-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 55125269
2-[[6-[bis(2-methylpropyl)amino]-5-nitropyrimidin-4-yl]-ethylamino]ethanol
CID 23492925
2-[ethyl-[6-methyl-2-(methylamino)-5-nitropyrimidin-4-yl]amino]ethanol
CID 114044452
2-chloro-N-(1-methoxypropan-2-yl)-6-methyl-5-nitropyrimidin-4-amine
CID 18801452
2-chloro-4-methoxy-6-methyl-5-nitropyrimidine;ethane
CID 142192170
3-[ethyl-(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propanenitrile
CID 114044975
N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine
CID 133276802

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine (CID 114043145) is 2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine is CCN(CC(C)C)c1nc(Cl)nc(C)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine?
The InChIKey is WUTMHIILKLDMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-5-15(6-7(2)3)10-9(16(17)18)8(4)13-11(12)14-10/h7H,5-6H2,1-4H3.
What are the key properties of 2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine?
2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine has a molecular weight of 272.74 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-6-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 114043145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).