ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate

C18H29N5O2 — CID 112923357

IUPACethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)cc(N3CCCC(C)C3)n2)CC1
InChIInChI=1S/C18H29N5O2/c1-4-25-18(24)22-10-8-21(9-11-22)17-19-15(3)12-16(20-17)23-7-5-6-14(2)13-23/h12,14H,4-11,13H2,1-3H3
InChIKeyVAKKLFAQFUIXHJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.30
Rot. Bonds3

About ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate

ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate (PubChem CID 112923357) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate
PubChem CID112923357
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Nameethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)cc(N3CCCC(C)C3)n2)CC1
InChIInChI=1S/C18H29N5O2/c1-4-25-18(24)22-10-8-21(9-11-22)17-19-15(3)12-16(20-17)23-7-5-6-14(2)13-23/h12,14H,4-11,13H2,1-3H3
InChIKeyVAKKLFAQFUIXHJ-UHFFFAOYSA-N
XLogP2.30
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109332006
4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112909491
ethyl 4-[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923280
4-methyl-2-(3-methylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 112910746
4-methyl-6-(3-methylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 112923898
ethyl 4-[5-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109261929
ethyl 4-[2-(diethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112923272
ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
CID 112923366
ethyl 4-[2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109310285
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
2-methyl-6-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 90718373
ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877548

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate (CID 112923357) is ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(C)cc(N3CCCC(C)C3)n2)CC1.
What is the InChIKey of ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate?
The InChIKey is VAKKLFAQFUIXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-4-25-18(24)22-10-8-21(9-11-22)17-19-15(3)12-16(20-17)23-7-5-6-14(2)13-23/h12,14H,4-11,13H2,1-3H3.
What are the key properties of ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate?
ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 112923357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).