4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

C13H20N6 — CID 80809433

IUPAC4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCn2ccnc2)c1C(C)C
InChIInChI=1S/C13H20N6/c1-10(2)11-12(14-3)17-8-18-13(11)16-5-7-19-6-4-15-9-19/h4,6,8-10H,5,7H2,1-3H3,(H2,14,16,17,18)
InChIKeyLRUHAJHPGVPETQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.95
Rot. Bonds6

About 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80809433) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80809433
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCn2ccnc2)c1C(C)C
InChIInChI=1S/C13H20N6/c1-10(2)11-12(14-3)17-8-18-13(11)16-5-7-19-6-4-15-9-19/h4,6,8-10H,5,7H2,1-3H3,(H2,14,16,17,18)
InChIKeyLRUHAJHPGVPETQ-UHFFFAOYSA-N
XLogP1.95
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809242
5-ethyl-4-N-(2-imidazol-1-ylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80809603
6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80809043
4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80808824
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302
4-N-(2-imidazol-1-ylethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80809045
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777700
5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 146145450
4-N-(3-imidazol-1-ylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152530
6-N-methyl-4-N-(3-methylsulfinylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 113488418
6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146884

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80809433) is 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(NCCn2ccnc2)c1C(C)C.
What is the InChIKey of 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is LRUHAJHPGVPETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-10(2)11-12(14-3)17-8-18-13(11)16-5-7-19-6-4-15-9-19/h4,6,8-10H,5,7H2,1-3H3,(H2,14,16,17,18).
What are the key properties of 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80809433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).