4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine

C17H29N5 — CID 112914013

IUPAC4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCCC1CCCCN1c1cc(C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H29N5/c1-4-15-7-5-6-8-22(15)16-13-14(2)18-17(19-16)21-11-9-20(3)10-12-21/h13,15H,4-12H2,1-3H3
InChIKeyGISHUWWFNALSRB-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.31
Rot. Bonds3

About 4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine

4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 112914013) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID112914013
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCCC1CCCCN1c1cc(C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H29N5/c1-4-15-7-5-6-8-22(15)16-13-14(2)18-17(19-16)21-11-9-20(3)10-12-21/h13,15H,4-12H2,1-3H3
InChIKeyGISHUWWFNALSRB-UHFFFAOYSA-N
XLogP2.31
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azepane
CID 112925859
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
2-[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112920326
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
ethyl 4-[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923280
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660
5-(2-ethylpiperidin-1-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazine
CID 112958109
N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925937
4-methyl-6-(4-methylpiperazin-1-yl)-2-piperazin-1-ylpyrimidine
CID 99980092
N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112921818
6-(2-ethylpiperidin-1-yl)-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 112867342
N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925948

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine (CID 112914013) is 4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine is CCC1CCCCN1c1cc(C)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is GISHUWWFNALSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-4-15-7-5-6-8-22(15)16-13-14(2)18-17(19-16)21-11-9-20(3)10-12-21/h13,15H,4-12H2,1-3H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine?
4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 303.45 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 112914013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).