4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C12H17N7 — CID 25131559

IUPAC4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3cnc[nH]3)nc(N)n2)CC1
InChIInChI=1S/C12H17N7/c1-18-2-4-19(5-3-18)11-6-9(16-12(13)17-11)10-7-14-8-15-10/h6-8H,2-5H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyMCSLSGYTPAVGEY-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.20
Rot. Bonds2

About 4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25131559) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25131559
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3cnc[nH]3)nc(N)n2)CC1
InChIInChI=1S/C12H17N7/c1-18-2-4-19(5-3-18)11-6-9(16-12(13)17-11)10-7-14-8-15-10/h6-8H,2-5H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyMCSLSGYTPAVGEY-UHFFFAOYSA-N
XLogP0.20
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-((4-pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole
CID 5025739
5H-Pyrrolo(3,2-d)pyrimidin-4-amine
CID 5287565
Ngd 94-1
CID 188942
2-(1H-imidazol-2-yl)pyridine
CID 589313
2-(pyridin-2-yl)-1H-imidazo(4,5-c)pyridine
CID 947740
Pyrrolopyrimidine
CID 577022
1H-Imidazo(4,5-c)pyridine
CID 9227
2-((1H-imidazol-4-yl)methyl)pyridine
CID 9877454
N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}-3-(Pyridin-3-Yl)propan-1-Amine
CID 118656419
4-(2-Methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 6539018
1-(2-Phenyl-3H-imidazol-4-ylmethyl)-4-pyridin-2-yl-piperazine
CID 2812861
3-Deazaadenine
CID 418745

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25131559) is 4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(-c3cnc[nH]3)nc(N)n2)CC1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is MCSLSGYTPAVGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-18-2-4-19(5-3-18)11-6-9(16-12(13)17-11)10-7-14-8-15-10/h6-8H,2-5H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 259.32 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25131559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).