N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

C12H19ClN4 — CID 63316886

IUPACN-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccnc(Cl)n1)C1CCCC1
InChIInChI=1S/C12H19ClN4/c1-17(10-4-2-3-5-10)9-8-14-11-6-7-15-12(13)16-11/h6-7,10H,2-5,8-9H2,1H3,(H,14,15,16)
InChIKeyKYDKJMFUKFPCPG-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.42
Rot. Bonds5

About N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (PubChem CID 63316886) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
PubChem CID63316886
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC NameN-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccnc(Cl)n1)C1CCCC1
InChIInChI=1S/C12H19ClN4/c1-17(10-4-2-3-5-10)9-8-14-11-6-7-15-12(13)16-11/h6-7,10H,2-5,8-9H2,1H3,(H,14,15,16)
InChIKeyKYDKJMFUKFPCPG-UHFFFAOYSA-N
XLogP2.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63587094
4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823019
N-(6-chloropyridazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 55205070
2-chloro-N-(2-cyclopentyloxyethyl)pyrimidin-4-amine
CID 63833715
6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 78942098
N'-cyclopentyl-N-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63317997
6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80829285
N'-cyclopentyl-N'-methyl-N-(2-methyl-4-pyridinyl)ethane-1,2-diamine
CID 113482625
N'-cyclopentyl-N-(6-hydrazinylpyrazin-2-yl)-N'-methylethane-1,2-diamine
CID 80914281
N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 83153379
N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 79841594
2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
CID 107544497

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (CID 63316886) is N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is CN(CCNc1ccnc(Cl)n1)C1CCCC1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The InChIKey is KYDKJMFUKFPCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-17(10-4-2-3-5-10)9-8-14-11-6-7-15-12(13)16-11/h6-7,10H,2-5,8-9H2,1H3,(H,14,15,16).
What are the key properties of N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine has a molecular weight of 254.76 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63316886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).