2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine

C16H27N5 — CID 112885063

IUPAC2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
SMILESCCN1CCN(c2nccc(N3CCC(C)CC3)n2)CC1
InChIInChI=1S/C16H27N5/c1-3-19-10-12-21(13-11-19)16-17-7-4-15(18-16)20-8-5-14(2)6-9-20/h4,7,14H,3,5-6,8-13H2,1-2H3
InChIKeyAWOBEKVLZFHJAA-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.85
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine

2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine (PubChem CID 112885063) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
PubChem CID112885063
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
SMILESCCN1CCN(c2nccc(N3CCC(C)CC3)n2)CC1
InChIInChI=1S/C16H27N5/c1-3-19-10-12-21(13-11-19)16-17-7-4-15(18-16)20-8-5-14(2)6-9-20/h4,7,14H,3,5-6,8-13H2,1-2H3
InChIKeyAWOBEKVLZFHJAA-UHFFFAOYSA-N
XLogP1.85
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
4-(4-benzylpiperidin-1-yl)-2-(4-ethylpiperazin-1-yl)pyrimidine
CID 112888435
4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888374
2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
4-chloro-2-(4-methylpiperidin-1-yl)pyrimidine
CID 130067368
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
2-(4-ethylpiperazin-1-yl)-4-(trichloromethyl)pyrimidine
CID 70394813
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112885264
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine (CID 112885063) is 2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine is CCN1CCN(c2nccc(N3CCC(C)CC3)n2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine?
The InChIKey is AWOBEKVLZFHJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-3-19-10-12-21(13-11-19)16-17-7-4-15(18-16)20-8-5-14(2)6-9-20/h4,7,14H,3,5-6,8-13H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine?
2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine has a molecular weight of 289.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 112885063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).