N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine

C16H27N5 — CID 112884933

IUPACN-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN1CCN(c2ccnc(NC3CCCCC3)n2)CC1
InChIInChI=1S/C16H27N5/c1-2-20-10-12-21(13-11-20)15-8-9-17-16(19-15)18-14-6-4-3-5-7-14/h8-9,14H,2-7,10-13H2,1H3,(H,17,18,19)
InChIKeyVIUYZLCCCHEROX-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.36
Rot. Bonds4

About N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine

N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112884933) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112884933
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN1CCN(c2ccnc(NC3CCCCC3)n2)CC1
InChIInChI=1S/C16H27N5/c1-2-20-10-12-21(13-11-20)15-8-9-17-16(19-15)18-14-6-4-3-5-7-14/h8-9,14H,2-7,10-13H2,1H3,(H,17,18,19)
InChIKeyVIUYZLCCCHEROX-UHFFFAOYSA-N
XLogP2.36
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
N-cyclohexyl-5-(4-ethylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112942382
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112884982
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112884384
4-(azepan-1-yl)-N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 66903182
4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882670
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
4-(azepan-1-yl)-N-[1-(2-methylpentyl)piperidin-3-yl]pyrimidin-2-amine
CID 23086135
N-[4-(azepan-1-yl)pyrimidin-2-yl]-1-(1-propylpiperidin-4-yl)azepan-3-amine
CID 66903567
4-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112888270

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine (CID 112884933) is N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine is CCN1CCN(c2ccnc(NC3CCCCC3)n2)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is VIUYZLCCCHEROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-2-20-10-12-21(13-11-20)15-8-9-17-16(19-15)18-14-6-4-3-5-7-14/h8-9,14H,2-7,10-13H2,1H3,(H,17,18,19).
What are the key properties of N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 289.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112884933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).