N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

C12H17N5 — CID 79738756

IUPACN-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCNc1ncnc(Cc2nccn2C)c1C
InChIInChI=1S/C12H17N5/c1-4-13-12-9(2)10(15-8-16-12)7-11-14-5-6-17(11)3/h5-6,8H,4,7H2,1-3H3,(H,13,15,16)
InChIKeyQUPCBIBGUGUINJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.54
Rot. Bonds4

About N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 79738756) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID79738756
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCNc1ncnc(Cc2nccn2C)c1C
InChIInChI=1S/C12H17N5/c1-4-13-12-9(2)10(15-8-16-12)7-11-14-5-6-17(11)3/h5-6,8H,4,7H2,1-3H3,(H,13,15,16)
InChIKeyQUPCBIBGUGUINJ-UHFFFAOYSA-N
XLogP1.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 79738662
N-ethyl-3-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 79738561
N-ethyl-6-[(1-ethylimidazol-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 79738464
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80821782
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542
6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 80908147
6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80809043
5-fluoro-6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 103644661
6-chloro-N-ethyl-5-methylpyrimidin-4-amine
CID 63734594
azane;1-methyl-2-propylimidazole
CID 174525892
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80831186
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431951

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (CID 79738756) is N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is CCNc1ncnc(Cc2nccn2C)c1C.
What is the InChIKey of N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is QUPCBIBGUGUINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-13-12-9(2)10(15-8-16-12)7-11-14-5-6-17(11)3/h5-6,8H,4,7H2,1-3H3,(H,13,15,16).
What are the key properties of N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79738756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).