2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine

C18H28N8 — CID 30881620

IUPAC2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine
SMILESCc1nccc(N2CCC(Cn3cc(CN4CCNCC4)nn3)CC2)n1
InChIInChI=1S/C18H28N8/c1-15-20-5-2-18(21-15)25-8-3-16(4-9-25)12-26-14-17(22-23-26)13-24-10-6-19-7-11-24/h2,5,14,16,19H,3-4,6-13H2,1H3
InChIKeyMTJMRYJZSNSLPB-UHFFFAOYSA-N
MW356.48 g/mol
LogP0.70
Rot. Bonds5

About 2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine

2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine (PubChem CID 30881620) has the molecular formula C18H28N8 and a molecular weight of 356.48 g/mol. Its IUPAC name is 2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine
PubChem CID30881620
Molecular FormulaC18H28N8
Molecular Weight356.48 g/mol
Exact Mass356.24
IUPAC Name2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine
SMILESCc1nccc(N2CCC(Cn3cc(CN4CCNCC4)nn3)CC2)n1
InChIInChI=1S/C18H28N8/c1-15-20-5-2-18(21-15)25-8-3-16(4-9-25)12-26-14-17(22-23-26)13-24-10-6-19-7-11-24/h2,5,14,16,19H,3-4,6-13H2,1H3
InChIKeyMTJMRYJZSNSLPB-UHFFFAOYSA-N
XLogP0.70
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162640825
5-((6-((Piperidin-4-ylmethyl)amino)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
CID 42610483
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 118965334
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-methyl-4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 137632745
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-6-methyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 137649371
5-((6-(4-(Aminomethyl)piperidin-1-yl)pyrimidin-4-yl)amino)pyrazine-2-carbonitrile
CID 42610562
N-(6-(4-(aminomethyl)piperidin-1-yl)pyrimidin-4-yl)pyrazin-2-amine
CID 42610049
5-[[6-(Piperidin-1-ium-4-ylmethylamino)pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
CID 72199665
6-[4-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)piperidin-1-yl]-N-isopropylpyrimidin-4-amine
CID 46995038
6-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 46998993
2-(4-{5-[(dimethylamino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)-N-methylpyrimidin-4-amine
CID 70734973
2-{4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrimidin-4-amine
CID 70779369

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine (CID 30881620) is 2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine is Cc1nccc(N2CCC(Cn3cc(CN4CCNCC4)nn3)CC2)n1.
What is the InChIKey of 2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine?
The InChIKey is MTJMRYJZSNSLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8/c1-15-20-5-2-18(21-15)25-8-3-16(4-9-25)12-26-14-17(22-23-26)13-24-10-6-19-7-11-24/h2,5,14,16,19H,3-4,6-13H2,1H3.
What are the key properties of 2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine?
2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine has a molecular weight of 356.48 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[[4-(piperazin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 30881620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).