N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine

C9H14ClN3 — CID 63392490

IUPACN-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCN(CCCl)c1ccnc(C)n1
InChIInChI=1S/C9H14ClN3/c1-3-13(7-5-10)9-4-6-11-8(2)12-9/h4,6H,3,5,7H2,1-2H3
InChIKeyFVFGBLMGRGMBOT-UHFFFAOYSA-N
MW199.69 g/mol
LogP1.85
Rot. Bonds4

About N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine

N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine (PubChem CID 63392490) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine
PubChem CID63392490
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine
SMILESCCN(CCCl)c1ccnc(C)n1
InChIInChI=1S/C9H14ClN3/c1-3-13(7-5-10)9-4-6-11-8(2)12-9/h4,6H,3,5,7H2,1-2H3
InChIKeyFVFGBLMGRGMBOT-UHFFFAOYSA-N
XLogP1.85
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine (CID 63392490) is N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine is CCN(CCCl)c1ccnc(C)n1.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is FVFGBLMGRGMBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-3-13(7-5-10)9-4-6-11-8(2)12-9/h4,6H,3,5,7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine?
N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 199.69 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 63392490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).