6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine

C12H20ClN5 — CID 78942098

IUPAC6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
SMILESCN(CCNc1cc(Cl)nc(N)n1)C1CCCC1
InChIInChI=1S/C12H20ClN5/c1-18(9-4-2-3-5-9)7-6-15-11-8-10(13)16-12(14)17-11/h8-9H,2-7H2,1H3,(H3,14,15,16,17)
InChIKeyQWKQYYTUFBWVLR-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.00
Rot. Bonds5

About 6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine

6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine (PubChem CID 78942098) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
PubChem CID78942098
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
SMILESCN(CCNc1cc(Cl)nc(N)n1)C1CCCC1
InChIInChI=1S/C12H20ClN5/c1-18(9-4-2-3-5-9)7-6-15-11-8-10(13)16-12(14)17-11/h8-9H,2-7H2,1H3,(H3,14,15,16,17)
InChIKeyQWKQYYTUFBWVLR-UHFFFAOYSA-N
XLogP2.00
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80823298
N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63587094
N-(6-chloropyridazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 55205070
N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316886
4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823019
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
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80829643
2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol
CID 133384998
5-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3,5-diamine
CID 104534598
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine (CID 78942098) is 6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine is CN(CCNc1cc(Cl)nc(N)n1)C1CCCC1.
What is the InChIKey of 6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine?
The InChIKey is QWKQYYTUFBWVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-18(9-4-2-3-5-9)7-6-15-11-8-10(13)16-12(14)17-11/h8-9H,2-7H2,1H3,(H3,14,15,16,17).
What are the key properties of 6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine has a molecular weight of 269.78 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 78942098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).