4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine

C12H18N6 — CID 80809698

IUPAC4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCn2ccnc2)n1
InChIInChI=1S/C12H18N6/c1-2-4-15-12-16-5-3-11(17-12)14-7-9-18-8-6-13-10-18/h3,5-6,8,10H,2,4,7,9H2,1H3,(H2,14,15,16,17)
InChIKeyMTLGFJCEPUMZBY-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.61
Rot. Bonds7

About 4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine

4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80809698) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID80809698
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCCn2ccnc2)n1
InChIInChI=1S/C12H18N6/c1-2-4-15-12-16-5-3-11(17-12)14-7-9-18-8-6-13-10-18/h3,5-6,8,10H,2,4,7,9H2,1H3,(H2,14,15,16,17)
InChIKeyMTLGFJCEPUMZBY-UHFFFAOYSA-N
XLogP1.61
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
N-(2-imidazol-1-ylethyl)pyrimidin-4-amine
CID 61325111
2-N-(2-imidazol-1-ylethyl)-4-N-[(3R)-oxan-3-yl]pyrimidine-2,4-diamine
CID 129341030
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
4-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80829551
5-ethyl-4-N-(2-imidazol-1-ylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80809603
N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62151053
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 80809040
2-N-(2-imidazol-1-ylethyl)-4-N-[(2R,3S)-2-propan-2-yloxan-3-yl]pyrimidine-2,4-diamine
CID 129333496
N-(2-imidazol-1-ylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78955202
4-N-(3-imidazol-1-ylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80753852
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propylpyrimidin-4-amine
CID 80947963

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine (CID 80809698) is 4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(NCCn2ccnc2)n1.
What is the InChIKey of 4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is MTLGFJCEPUMZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-2-4-15-12-16-5-3-11(17-12)14-7-9-18-8-6-13-10-18/h3,5-6,8,10H,2,4,7,9H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine?
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.61, 7 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)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80809698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).