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

C12H17N7 — CID 25130230

IUPAC4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-n3ccnc3)nc(N)n2)CC1
InChIInChI=1S/C12H17N7/c1-17-4-6-18(7-5-17)10-8-11(16-12(13)15-10)19-3-2-14-9-19/h2-3,8-9H,4-7H2,1H3,(H2,13,15,16)
InChIKeyOGCXUIJSMCCAKM-UHFFFAOYSA-N
MW259.32 g/mol
LogP-0.00
Rot. Bonds2

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

4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25130230) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25130230
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-n3ccnc3)nc(N)n2)CC1
InChIInChI=1S/C12H17N7/c1-17-4-6-18(7-5-17)10-8-11(16-12(13)15-10)19-3-2-14-9-19/h2-3,8-9H,4-7H2,1H3,(H2,13,15,16)
InChIKeyOGCXUIJSMCCAKM-UHFFFAOYSA-N
XLogP-0.00
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-((1-methyl-1H-imidazol-4-yl)methyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162640825
8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
2-(4-Pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 2458984
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
4-(4-Methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-ylamine
CID 25130912
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227388
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 71681474
6-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 71681475
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 71681806

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25130230) is 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(-n3ccnc3)nc(N)n2)CC1.
What is the InChIKey of 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is OGCXUIJSMCCAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-17-4-6-18(7-5-17)10-8-11(16-12(13)15-10)19-3-2-14-9-19/h2-3,8-9H,4-7H2,1H3,(H2,13,15,16).
What are the key properties of 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 259.32 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25130230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).