2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol

C16H27N5O — CID 163351033

IUPAC2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol
SMILESCCNc1nccc(N2CCN(C3CCCCC3O)CC2)n1
InChIInChI=1S/C16H27N5O/c1-2-17-16-18-8-7-15(19-16)21-11-9-20(10-12-21)13-5-3-4-6-14(13)22/h7-8,13-14,22H,2-6,9-12H2,1H3,(H,17,18,19)
InChIKeyQJJCDDSEVHGMGK-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.33
Rot. Bonds4

About 2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol

2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol (PubChem CID 163351033) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol
PubChem CID163351033
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol
SMILESCCNc1nccc(N2CCN(C3CCCCC3O)CC2)n1
InChIInChI=1S/C16H27N5O/c1-2-17-16-18-8-7-15(19-16)21-11-9-20(10-12-21)13-5-3-4-6-14(13)22/h7-8,13-14,22H,2-6,9-12H2,1H3,(H,17,18,19)
InChIKeyQJJCDDSEVHGMGK-UHFFFAOYSA-N
XLogP1.33
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351031
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylpyrimidin-2-amine
CID 80830977
4-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
CID 146074375
N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine
CID 80766699
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82692303
N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
CID 166601436
N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
CID 80851519
4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine
CID 80854955
N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155801027

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol (CID 163351033) is 2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol is CCNc1nccc(N2CCN(C3CCCCC3O)CC2)n1.
What is the InChIKey of 2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol?
The InChIKey is QJJCDDSEVHGMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-2-17-16-18-8-7-15(19-16)21-11-9-20(10-12-21)13-5-3-4-6-14(13)22/h7-8,13-14,22H,2-6,9-12H2,1H3,(H,17,18,19).
What are the key properties of 2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol?
2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol has a molecular weight of 305.43 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 163351033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).