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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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(1H-imidazol-5-yl)ethyl]guanidine
CID 5159263
2-Tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183040
2-Tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183042
2-Imidazol-1-yl-4,6-dimethylpyrimidine
CID 11206064
4-(2-Propylimidazol-1-yl)pyridine
CID 50957215
2-(Chloromethyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 693330
[(1-{[1-(4,6-dimethyl-2-pyrimidinyl)-3-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]dimethylamine bis(trifluoroacetate)
CID 45205552
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide
CID 46981387
N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 53565265
4-methyl-6-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-amine
CID 53565617
1-(1H-imidazol-1-yl)-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}propan-2-amine
CID 56714603
4-cyclobutyl-6-methyl-2-{4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}pyrimidine
CID 56873336

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).