N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine

C10H16ClN3O — CID 66334187

IUPACN-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine
SMILESCCOc1cc(N(CC)CCCl)ncn1
InChIInChI=1S/C10H16ClN3O/c1-3-14(6-5-11)9-7-10(15-4-2)13-8-12-9/h7-8H,3-6H2,1-2H3
InChIKeyQGKYFWJVFHJVLB-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.94
Rot. Bonds6

About N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine

N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine (PubChem CID 66334187) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine
PubChem CID66334187
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine
SMILESCCOc1cc(N(CC)CCCl)ncn1
InChIInChI=1S/C10H16ClN3O/c1-3-14(6-5-11)9-7-10(15-4-2)13-8-12-9/h7-8H,3-6H2,1-2H3
InChIKeyQGKYFWJVFHJVLB-UHFFFAOYSA-N
XLogP1.94
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-6-ethoxy-N-ethylpyrimidin-4-amine?
The IUPAC name of N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine (CID 66334187) is N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine is CCOc1cc(N(CC)CCCl)ncn1.
What is the InChIKey of N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine?
The InChIKey is QGKYFWJVFHJVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-3-14(6-5-11)9-7-10(15-4-2)13-8-12-9/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine?
N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine has a molecular weight of 229.71 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-6-ethoxy-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 66334187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).