N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

C14H23ClN4 — CID 63729738

IUPACN-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCc1nc(Cl)c(C)c(NCCN(C)C2CCCC2)n1
InChIInChI=1S/C14H23ClN4/c1-10-13(15)17-11(2)18-14(10)16-8-9-19(3)12-6-4-5-7-12/h12H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyZMNKMRWSMWVHKR-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.03
Rot. Bonds5

About N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (PubChem CID 63729738) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
PubChem CID63729738
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC NameN-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCc1nc(Cl)c(C)c(NCCN(C)C2CCCC2)n1
InChIInChI=1S/C14H23ClN4/c1-10-13(15)17-11(2)18-14(10)16-8-9-19(3)12-6-4-5-7-12/h12H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyZMNKMRWSMWVHKR-UHFFFAOYSA-N
XLogP3.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316884
N'-cyclopentyl-N'-methyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 63318491
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 55231599
6-chloro-N-(cyclohexylmethyl)-2,5-dimethylpyrimidin-4-amine
CID 63729418
N'-cyclopentyl-N-(3,6-dimethylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 65417550
N'-cyclopropyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)ethane-1,2-diamine
CID 102751027
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 63730182
N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63587094
6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80829285
N'-cyclohexyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)propane-1,3-diamine
CID 106193002
N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 83153379
2-cyclopropyl-4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985452

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (CID 63729738) is N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is Cc1nc(Cl)c(C)c(NCCN(C)C2CCCC2)n1.
What is the InChIKey of N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The InChIKey is ZMNKMRWSMWVHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-10-13(15)17-11(2)18-14(10)16-8-9-19(3)12-6-4-5-7-12/h12H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine has a molecular weight of 282.82 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63729738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).