5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine

C19H30N8 — CID 31161829

IUPAC5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cnc(N2CCC(Cn3cc(CN4CCCCC4)nn3)CC2)nc1N
InChIInChI=1S/C19H30N8/c1-15-11-21-19(22-18(15)20)26-9-5-16(6-10-26)12-27-14-17(23-24-27)13-25-7-3-2-4-8-25/h11,14,16H,2-10,12-13H2,1H3,(H2,20,21,22)
InChIKeyKTRSYCLKWNWPFB-UHFFFAOYSA-N
MW370.51 g/mol
LogP1.86
Rot. Bonds5

About 5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine

5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 31161829) has the molecular formula C19H30N8 and a molecular weight of 370.51 g/mol. Its IUPAC name is 5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID31161829
Molecular FormulaC19H30N8
Molecular Weight370.51 g/mol
Exact Mass370.26
IUPAC Name5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1cnc(N2CCC(Cn3cc(CN4CCCCC4)nn3)CC2)nc1N
InChIInChI=1S/C19H30N8/c1-15-11-21-19(22-18(15)20)26-9-5-16(6-10-26)12-27-14-17(23-24-27)13-25-7-3-2-4-8-25/h11,14,16H,2-10,12-13H2,1H3,(H2,20,21,22)
InChIKeyKTRSYCLKWNWPFB-UHFFFAOYSA-N
XLogP1.86
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine (CID 31161829) is 5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine is Cc1cnc(N2CCC(Cn3cc(CN4CCCCC4)nn3)CC2)nc1N.
What is the InChIKey of 5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is KTRSYCLKWNWPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N8/c1-15-11-21-19(22-18(15)20)26-9-5-16(6-10-26)12-27-14-17(23-24-27)13-25-7-3-2-4-8-25/h11,14,16H,2-10,12-13H2,1H3,(H2,20,21,22).
What are the key properties of 5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine?
5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 370.51 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[[4-(piperidin-1-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 31161829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).