4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine

C12H17N7 — CID 133365798

IUPAC4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
SMILESCN1CCN(c2ncnc(-n3cccn3)c2N)CC1
InChIInChI=1S/C12H17N7/c1-17-5-7-18(8-6-17)11-10(13)12(15-9-14-11)19-4-2-3-16-19/h2-4,9H,5-8,13H2,1H3
InChIKeyBUSNQOXMOULDMJ-UHFFFAOYSA-N
MW259.32 g/mol
LogP-0.00
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine

4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine (PubChem CID 133365798) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
PubChem CID133365798
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
SMILESCN1CCN(c2ncnc(-n3cccn3)c2N)CC1
InChIInChI=1S/C12H17N7/c1-17-5-7-18(8-6-17)11-10(13)12(15-9-14-11)19-4-2-3-16-19/h2-4,9H,5-8,13H2,1H3
InChIKeyBUSNQOXMOULDMJ-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

4-(4-benzhydrylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine
CID 133365860
[4-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133498946
[1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133366202
4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
CID 133447844
6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19138216
4-(4-methylpiperazin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
CID 19138241
4-N-[(1-methylpiperidin-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 133454574
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 19138163
4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
CID 133480564
5-methyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 80853317
4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 71912078
4-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138287

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine (CID 133365798) is 4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine is CN1CCN(c2ncnc(-n3cccn3)c2N)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine?
The InChIKey is BUSNQOXMOULDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-17-5-7-18(8-6-17)11-10(13)12(15-9-14-11)19-4-2-3-16-19/h2-4,9H,5-8,13H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine?
4-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-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-(4-methylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidin-5-amine is sourced from PubChem (CID 133365798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).