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

C16H27N5O — CID 163351031

IUPAC2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol
SMILESCCNc1ccnc(N2CCN(C3CCCCC3O)CC2)n1
InChIInChI=1S/C16H27N5O/c1-2-17-15-7-8-18-16(19-15)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)
InChIKeyQPQKXTZONJQCCI-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.33
Rot. Bonds4

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

2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol (PubChem CID 163351031) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol
PubChem CID163351031
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol
SMILESCCNc1ccnc(N2CCN(C3CCCCC3O)CC2)n1
InChIInChI=1S/C16H27N5O/c1-2-17-15-7-8-18-16(19-15)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)
InChIKeyQPQKXTZONJQCCI-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-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethylpyrimidin-4-amine
CID 50950844
2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351033
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154575618
2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
CID 121204945
N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine
CID 165433124
trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
CID 167811246
2-(4-cyclohexylpiperazin-1-yl)-N-(naphthalen-1-ylmethyl)pyrimidin-4-amine
CID 53484185
2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine
CID 166604798
N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112883142
N-cycloheptyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112884682
N-ethyl-2-[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]pyrimidin-4-amine
CID 50977875
N-ethyl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]pyrimidin-4-amine
CID 146074590

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol (CID 163351031) is 2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol is CCNc1ccnc(N2CCN(C3CCCCC3O)CC2)n1.
What is the InChIKey of 2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol?
The InChIKey is QPQKXTZONJQCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-2-17-15-7-8-18-16(19-15)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-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol?
2-[4-[4-(ethylamino)pyrimidin-2-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-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 163351031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).