4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine

C18H31N5 — CID 126448998

IUPAC4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine
SMILESCCc1nc(N2CCN(C[C@@H]3CCCN(C)C3)CC2)ncc1C
InChIInChI=1S/C18H31N5/c1-4-17-15(2)12-19-18(20-17)23-10-8-22(9-11-23)14-16-6-5-7-21(3)13-16/h12,16H,4-11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyKINZHCBVHILPTE-MRXNPFEDSA-N
MW317.48 g/mol
LogP1.81
Rot. Bonds4

About 4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine

4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine (PubChem CID 126448998) has the molecular formula C18H31N5 and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine
PubChem CID126448998
Molecular FormulaC18H31N5
Molecular Weight317.48 g/mol
Exact Mass317.26
IUPAC Name4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine
SMILESCCc1nc(N2CCN(C[C@@H]3CCCN(C)C3)CC2)ncc1C
InChIInChI=1S/C18H31N5/c1-4-17-15(2)12-19-18(20-17)23-10-8-22(9-11-23)14-16-6-5-7-21(3)13-16/h12,16H,4-11,13-14H2,1-3H3/t16-/m1/s1
InChIKeyKINZHCBVHILPTE-MRXNPFEDSA-N
XLogP1.81
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine with MolForge

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Related Compounds

[1-(4-ethyl-5-methylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278831
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
(3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
CID 72895263
2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
CID 171069848
9-(4-ethyl-5-methylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72842183
6-ethyl-5-methyl-2-[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]-1H-pyrimidin-3-ium
CID 72923383
5-chloro-2-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 137334881
1-[(1-ethylpiperidin-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 77087702
1-[4-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 137341546
1-(2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine
CID 97185936
[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 97133362
3-(azepan-1-ylmethyl)-1-methylazocane
CID 129168492

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine (CID 126448998) is 4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine is CCc1nc(N2CCN(C[C@@H]3CCCN(C)C3)CC2)ncc1C.
What is the InChIKey of 4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine?
The InChIKey is KINZHCBVHILPTE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H31N5/c1-4-17-15(2)12-19-18(20-17)23-10-8-22(9-11-23)14-16-6-5-7-21(3)13-16/h12,16H,4-11,13-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine?
4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine has a molecular weight of 317.48 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 126448998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).