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

C13H19N5 — CID 46958595

IUPACN,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)CCn2ccnc2C)n1
InChIInChI=1S/C13H19N5/c1-10-9-11(2)16-13(15-10)17(4)7-8-18-6-5-14-12(18)3/h5-6,9H,7-8H2,1-4H3
InChIKeyLIKBPQRORNASIZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.73
Rot. Bonds4

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

N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine (PubChem CID 46958595) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
PubChem CID46958595
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)CCn2ccnc2C)n1
InChIInChI=1S/C13H19N5/c1-10-9-11(2)16-13(15-10)17(4)7-8-18-6-5-14-12(18)3/h5-6,9H,7-8H2,1-4H3
InChIKeyLIKBPQRORNASIZ-UHFFFAOYSA-N
XLogP1.73
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine (CID 46958595) is N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine is Cc1cc(C)nc(N(C)CCn2ccnc2C)n1.
What is the InChIKey of N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine?
The InChIKey is LIKBPQRORNASIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-9-11(2)16-13(15-10)17(4)7-8-18-6-5-14-12(18)3/h5-6,9H,7-8H2,1-4H3.
What are the key properties of N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine?
N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 46958595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).