4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine

C17H20Cl2N4 — CID 112855896

IUPAC4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESClc1ccc(CCNc2cc(NC3CCCC3)ncn2)c(Cl)c1
InChIInChI=1S/C17H20Cl2N4/c18-13-6-5-12(15(19)9-13)7-8-20-16-10-17(22-11-21-16)23-14-3-1-2-4-14/h5-6,9-11,14H,1-4,7-8H2,(H2,20,21,22,23)
InChIKeyHWLWQJCOIVFVPL-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.79
Rot. Bonds6

About 4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine

4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 112855896) has the molecular formula C17H20Cl2N4 and a molecular weight of 351.28 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID112855896
Molecular FormulaC17H20Cl2N4
Molecular Weight351.28 g/mol
Exact Mass350.11
IUPAC Name4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
SMILESClc1ccc(CCNc2cc(NC3CCCC3)ncn2)c(Cl)c1
InChIInChI=1S/C17H20Cl2N4/c18-13-6-5-12(15(19)9-13)7-8-20-16-10-17(22-11-21-16)23-14-3-1-2-4-14/h5-6,9-11,14H,1-4,7-8H2,(H2,20,21,22,23)
InChIKeyHWLWQJCOIVFVPL-UHFFFAOYSA-N
XLogP4.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904
5-N-cyclohexyl-3-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112942263
N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 61224338
4-N-cyclohexyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112856213
N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855709
N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076
N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327625
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861063
N-cyclopentyl-6-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109363323
4-[6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858266
4-N-cyclohexyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112856250
4-N-cyclopropyl-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112854725

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine (CID 112855896) is 4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine is Clc1ccc(CCNc2cc(NC3CCCC3)ncn2)c(Cl)c1.
What is the InChIKey of 4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is HWLWQJCOIVFVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4/c18-13-6-5-12(15(19)9-13)7-8-20-16-10-17(22-11-21-16)23-14-3-1-2-4-14/h5-6,9-11,14H,1-4,7-8H2,(H2,20,21,22,23).
What are the key properties of 4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine?
4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 351.28 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112855896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).