4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine

C7H9ClN4O2 — CID 122400785

IUPAC4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine
SMILESCCN(C)c1ncc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C7H9ClN4O2/c1-3-11(2)7-9-4-5(12(13)14)6(8)10-7/h4H,3H2,1-2H3
InChIKeyGUYZFWUIOJCCOU-UHFFFAOYSA-N
MW216.63 g/mol
LogP1.49
Rot. Bonds3

About 4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine

4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine (PubChem CID 122400785) has the molecular formula C7H9ClN4O2 and a molecular weight of 216.63 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine
PubChem CID122400785
Molecular FormulaC7H9ClN4O2
Molecular Weight216.63 g/mol
Exact Mass216.04
IUPAC Name4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine
SMILESCCN(C)c1ncc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C7H9ClN4O2/c1-3-11(2)7-9-4-5(12(13)14)6(8)10-7/h4H,3H2,1-2H3
InChIKeyGUYZFWUIOJCCOU-UHFFFAOYSA-N
XLogP1.49
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 51.49
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

2-N-methyl-5-nitro-2-N-propylpyrimidine-2,4-diamine
CID 71945245
2-chloro-N-methyl-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine
CID 158883695
2-chloro-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;ethyl acetate
CID 159220517
N-[3-[(4-amino-5-nitropyrimidin-2-yl)-methylamino]propyl]acetamide
CID 133303902
6-chloro-N-methyl-5-nitro-N-propylpyrimidin-4-amine
CID 62102659
2-chloro-3-fluoro-4-methyl-5-nitropyridine
CID 151225607
N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine
CID 43152647
2-[4-(4-chloro-5-nitropyrimidin-2-yl)phenyl]acetonitrile
CID 58169309
2-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-nitropyrimidin-4-amine
CID 114043451
1-(6-chloro-5-nitro-2-pyridinyl)propan-1-one
CID 164914777
2-chloro-4-methoxy-5-nitropyrimidine
CID 3801616
2-chloro-5-methyl-3-nitropyridine
CID 139082293

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine (CID 122400785) is 4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine is CCN(C)c1ncc([N+](=O)[O-])c(Cl)n1.
What is the InChIKey of 4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine?
The InChIKey is GUYZFWUIOJCCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O2/c1-3-11(2)7-9-4-5(12(13)14)6(8)10-7/h4H,3H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine?
4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine has a molecular weight of 216.63 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-methyl-5-nitropyrimidin-2-amine is sourced from PubChem (CID 122400785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).