N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine

C17H26N6 — CID 126889453

IUPACN,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(CCc3nccn3C)CC2)ncn1
InChIInChI=1S/C17H26N6/c1-14-12-17(20-13-19-14)22(3)15-4-8-23(9-5-15)10-6-16-18-7-11-21(16)2/h7,11-13,15H,4-6,8-10H2,1-3H3
InChIKeyGRPOGWNENREAQN-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.66
Rot. Bonds5

About N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine

N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126889453) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126889453
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC NameN,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(CCc3nccn3C)CC2)ncn1
InChIInChI=1S/C17H26N6/c1-14-12-17(20-13-19-14)22(3)15-4-8-23(9-5-15)10-6-16-18-7-11-21(16)2/h7,11-13,15H,4-6,8-10H2,1-3H3
InChIKeyGRPOGWNENREAQN-UHFFFAOYSA-N
XLogP1.66
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
N,6-dimethyl-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889416
N,6-dimethyl-N-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126889332
N,6-dimethyl-N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889450
4-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]pyrrolidin-2-one
CID 126889501
N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889315
1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 134698250
4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol
CID 102959658
3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol
CID 126889548
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171996805
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 126890517
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171995913

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine (CID 126889453) is N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine is Cc1cc(N(C)C2CCN(CCc3nccn3C)CC2)ncn1.
What is the InChIKey of N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is GRPOGWNENREAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-14-12-17(20-13-19-14)22(3)15-4-8-23(9-5-15)10-6-16-18-7-11-21(16)2/h7,11-13,15H,4-6,8-10H2,1-3H3.
What are the key properties of N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine?
N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 314.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126889453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).