N,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine

C18H28N6 — CID 70717289

IUPACN,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCc1nccn1CCC1CCCCN1Cc1cnc(N(C)C)nc1
InChIInChI=1S/C18H28N6/c1-15-19-8-11-23(15)10-7-17-6-4-5-9-24(17)14-16-12-20-18(21-13-16)22(2)3/h8,11-13,17H,4-7,9-10,14H2,1-3H3
InChIKeyXEYHEDAXWROQOI-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.49
Rot. Bonds6

About N,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine

N,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 70717289) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is N,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID70717289
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC NameN,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCc1nccn1CCC1CCCCN1Cc1cnc(N(C)C)nc1
InChIInChI=1S/C18H28N6/c1-15-19-8-11-23(15)10-7-17-6-4-5-9-24(17)14-16-12-20-18(21-13-16)22(2)3/h8,11-13,17H,4-7,9-10,14H2,1-3H3
InChIKeyXEYHEDAXWROQOI-UHFFFAOYSA-N
XLogP2.49
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine (CID 70717289) is N,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine is Cc1nccn1CCC1CCCCN1Cc1cnc(N(C)C)nc1.
What is the InChIKey of N,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is XEYHEDAXWROQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-15-19-8-11-23(15)10-7-17-6-4-5-9-24(17)14-16-12-20-18(21-13-16)22(2)3/h8,11-13,17H,4-7,9-10,14H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine?
N,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 328.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 70717289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).