1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine

C10H14ClN3 — CID 130545305

IUPAC1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine
SMILESNC1(c2ncncc2Cl)CCCCC1
InChIInChI=1S/C10H14ClN3/c11-8-6-13-7-14-9(8)10(12)4-2-1-3-5-10/h6-7H,1-5,12H2
InChIKeyXFACJYIFROPLJE-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.25
Rot. Bonds1

About 1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine

1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine (PubChem CID 130545305) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine
PubChem CID130545305
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine
SMILESNC1(c2ncncc2Cl)CCCCC1
InChIInChI=1S/C10H14ClN3/c11-8-6-13-7-14-9(8)10(12)4-2-1-3-5-10/h6-7H,1-5,12H2
InChIKeyXFACJYIFROPLJE-UHFFFAOYSA-N
XLogP2.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-chloro-2-pyridinyl)cyclopentan-1-amine
CID 130545363
1-(5-chloropyrimidin-4-yl)cyclopropane-1-carbonitrile
CID 130544538
1-[5-(5-chloropyrimidin-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120863161
1-(5-chloro-3-fluoro-2-pyridinyl)cyclopentan-1-amine
CID 130545352
1-pyrazin-2-ylcycloheptan-1-amine
CID 130545536
5-chloro-4-iodopyrimidine
CID 112694385
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
1-(5-chloropyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
CID 105370009
1-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclobutan-1-amine
CID 131113925
1-(5-chloropyrimidin-4-yl)azepane;hydrochloride
CID 172880685
1-(3-chloro-4-pyridinyl)cyclopropan-1-amine
CID 55297970
5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide
CID 111825049

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine?
The IUPAC name of 1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine (CID 130545305) is 1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine is NC1(c2ncncc2Cl)CCCCC1.
What is the InChIKey of 1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine?
The InChIKey is XFACJYIFROPLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c11-8-6-13-7-14-9(8)10(12)4-2-1-3-5-10/h6-7H,1-5,12H2.
What are the key properties of 1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine?
1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine has a molecular weight of 211.70 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 130545305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).