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

C9H14ClN3 — CID 63392396

IUPACN-(2-chloroethyl)-N-propylpyrimidin-4-amine
SMILESCCCN(CCCl)c1ccncn1
InChIInChI=1S/C9H14ClN3/c1-2-6-13(7-4-10)9-3-5-11-8-12-9/h3,5,8H,2,4,6-7H2,1H3
InChIKeyQRSKYQQILPYIKA-UHFFFAOYSA-N
MW199.69 g/mol
LogP1.93
Rot. Bonds5

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

N-(2-chloroethyl)-N-propylpyrimidin-4-amine (PubChem CID 63392396) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-propylpyrimidin-4-amine
PubChem CID63392396
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-(2-chloroethyl)-N-propylpyrimidin-4-amine
SMILESCCCN(CCCl)c1ccncn1
InChIInChI=1S/C9H14ClN3/c1-2-6-13(7-4-10)9-3-5-11-8-12-9/h3,5,8H,2,4,6-7H2,1H3
InChIKeyQRSKYQQILPYIKA-UHFFFAOYSA-N
XLogP1.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[propyl(pyrimidin-4-yl)amino]ethanol
CID 61426077
N-(2-chloroethyl)-2-methyl-N-propylpyrimidin-4-amine
CID 63392200
N-(2-chloroethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63392292
N-(5-chloropentyl)-N-methylpyrimidin-4-amine
CID 107205392
N-(2-chloroethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 66333214
N-(2-chloroethyl)-N-propyl-1,3-thiazol-2-amine
CID 63392656
3-bromo-N-(2-chloroethyl)-4-methyl-N-propylpyridin-2-amine
CID 106878874
6-N,6-N-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 112863456
N-(2-chloroethyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 63392490
N-ethyl-N-pyrimidin-4-ylformamide
CID 54106352
N-(2-chloroethyl)-4-propoxy-N-propylpyrimidin-2-amine
CID 112639203
N-(2-chloroethyl)-6-ethoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66325770

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of N-(2-chloroethyl)-N-propylpyrimidin-4-amine (CID 63392396) is N-(2-chloroethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-N-propylpyrimidin-4-amine is CCCN(CCCl)c1ccncn1.
What is the InChIKey of N-(2-chloroethyl)-N-propylpyrimidin-4-amine?
The InChIKey is QRSKYQQILPYIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-2-6-13(7-4-10)9-3-5-11-8-12-9/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-propylpyrimidin-4-amine?
N-(2-chloroethyl)-N-propylpyrimidin-4-amine has a molecular weight of 199.69 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63392396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).