N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine

C10H16ClN3 — CID 63392200

IUPACN-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCN(CCCl)c1ccnc(C)n1
InChIInChI=1S/C10H16ClN3/c1-3-7-14(8-5-11)10-4-6-12-9(2)13-10/h4,6H,3,5,7-8H2,1-2H3
InChIKeyIXOGWMXXVYDFQT-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.24
Rot. Bonds5

About N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine

N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 63392200) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine
PubChem CID63392200
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC NameN-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCN(CCCl)c1ccnc(C)n1
InChIInChI=1S/C10H16ClN3/c1-3-7-14(8-5-11)10-4-6-12-9(2)13-10/h4,6H,3,5,7-8H2,1-2H3
InChIKeyIXOGWMXXVYDFQT-UHFFFAOYSA-N
XLogP2.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.24
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)-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine (CID 63392200) is N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine is CCCN(CCCl)c1ccnc(C)n1.
What is the InChIKey of N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is IXOGWMXXVYDFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-3-7-14(8-5-11)10-4-6-12-9(2)13-10/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine?
N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 213.71 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63392200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).