N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

C16H18Cl2N4 — CID 112855709

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESClc1ccc(CCNc2cc(N3CCCC3)ncn2)c(Cl)c1
InChIInChI=1S/C16H18Cl2N4/c17-13-4-3-12(14(18)9-13)5-6-19-15-10-16(21-11-20-15)22-7-1-2-8-22/h3-4,9-11H,1-2,5-8H2,(H,19,20,21)
InChIKeyWKCGJOHFKGIUCF-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.04
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine

N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112855709) has the molecular formula C16H18Cl2N4 and a molecular weight of 337.25 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112855709
Molecular FormulaC16H18Cl2N4
Molecular Weight337.25 g/mol
Exact Mass336.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
SMILESClc1ccc(CCNc2cc(N3CCCC3)ncn2)c(Cl)c1
InChIInChI=1S/C16H18Cl2N4/c17-13-4-3-12(14(18)9-13)5-6-19-15-10-16(21-11-20-15)22-7-1-2-8-22/h3-4,9-11H,1-2,5-8H2,(H,19,20,21)
InChIKeyWKCGJOHFKGIUCF-UHFFFAOYSA-N
XLogP4.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076
4-[6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858266
4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904
2-(azepan-1-yl)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidin-4-amine
CID 112901497
N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 61224338
4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112855896
N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327625
2,5-dichloro-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122327483
N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910046
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855741

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine (CID 112855709) is N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is Clc1ccc(CCNc2cc(N3CCCC3)ncn2)c(Cl)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is WKCGJOHFKGIUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4/c17-13-4-3-12(14(18)9-13)5-6-19-15-10-16(21-11-20-15)22-7-1-2-8-22/h3-4,9-11H,1-2,5-8H2,(H,19,20,21).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 337.25 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112855709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).