4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine

C10H14N6 — CID 80808824

IUPAC4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NCCn1ccnc1
InChIInChI=1S/C10H14N6/c1-8-9(11)14-6-15-10(8)13-3-5-16-4-2-12-7-16/h2,4,6-7H,3,5H2,1H3,(H3,11,13,14,15)
InChIKeyQXZXQVXCDFCHGQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.68
Rot. Bonds4

About 4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine

4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine (PubChem CID 80808824) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
PubChem CID80808824
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NCCn1ccnc1
InChIInChI=1S/C10H14N6/c1-8-9(11)14-6-15-10(8)13-3-5-16-4-2-12-7-16/h2,4,6-7H,3,5H2,1H3,(H3,11,13,14,15)
InChIKeyQXZXQVXCDFCHGQ-UHFFFAOYSA-N
XLogP0.68
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80809043
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
5-ethyl-4-N-(2-imidazol-1-ylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80809603
2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine
CID 66280404
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80809433
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80809242
5-N-(2-imidazol-1-ylethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359501
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273
4-N-(2-imidazol-1-ylethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80809045
3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine
CID 102983953
2-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
CID 80896447

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine (CID 80808824) is 4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine is Cc1c(N)ncnc1NCCn1ccnc1.
What is the InChIKey of 4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine?
The InChIKey is QXZXQVXCDFCHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-8-9(11)14-6-15-10(8)13-3-5-16-4-2-12-7-16/h2,4,6-7H,3,5H2,1H3,(H3,11,13,14,15).
What are the key properties of 4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine?
4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine has a molecular weight of 218.26 g/mol, XLogP of 0.68, 4 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)-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80808824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).