6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine

C18H25ClN4 — CID 112862527

IUPAC6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H25ClN4/c1-3-11-23(12-4-2)18-13-17(21-14-22-18)20-10-9-15-5-7-16(19)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,21,22)
InChIKeyHBRHREPTYQLCFT-UHFFFAOYSA-N
MW332.88 g/mol
LogP4.41
Rot. Bonds9

About 6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine

6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine (PubChem CID 112862527) has the molecular formula C18H25ClN4 and a molecular weight of 332.88 g/mol. Its IUPAC name is 6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine
PubChem CID112862527
Molecular FormulaC18H25ClN4
Molecular Weight332.88 g/mol
Exact Mass332.18
IUPAC Name6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILESCCCN(CCC)c1cc(NCCc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H25ClN4/c1-3-11-23(12-4-2)18-13-17(21-14-22-18)20-10-9-15-5-7-16(19)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,21,22)
InChIKeyHBRHREPTYQLCFT-UHFFFAOYSA-N
XLogP4.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109352334
N-[2-(4-chlorophenyl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80899019
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859177
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(1,1-dioxothiolan-3-yl)-4-N-methylpyrimidine-4,6-diamine
CID 112862055
6-hydrazinyl-N,N-dipropylpyrimidin-4-amine
CID 80932802
6-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112862542
4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863444
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112862520
6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine
CID 175661994

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine (CID 112862527) is 6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine is CCCN(CCC)c1cc(NCCc2ccc(Cl)cc2)ncn1.
What is the InChIKey of 6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The InChIKey is HBRHREPTYQLCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4/c1-3-11-23(12-4-2)18-13-17(21-14-22-18)20-10-9-15-5-7-16(19)8-6-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,21,22).
What are the key properties of 6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine?
6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine has a molecular weight of 332.88 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 112862527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).