6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C11H12N8 — CID 151937131

IUPAC6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(Nc2cc(-n3cc(N)cn3)ncn2)cn1
InChIInChI=1S/C11H12N8/c1-18-6-9(4-15-18)17-10-2-11(14-7-13-10)19-5-8(12)3-16-19/h2-7H,12H2,1H3,(H,13,14,17)
InChIKeyTTWMXQPUWIEDPX-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.72
Rot. Bonds3

About 6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine

6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 151937131) has the molecular formula C11H12N8 and a molecular weight of 256.27 g/mol. Its IUPAC name is 6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID151937131
Molecular FormulaC11H12N8
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(Nc2cc(-n3cc(N)cn3)ncn2)cn1
InChIInChI=1S/C11H12N8/c1-18-6-9(4-15-18)17-10-2-11(14-7-13-10)19-5-8(12)3-16-19/h2-7H,12H2,1H3,(H,13,14,17)
InChIKeyTTWMXQPUWIEDPX-UHFFFAOYSA-N
XLogP0.72
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Taminadenant
CID 53466958
Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
CID 3087487
2,6-Bis(1-pyrazolyl)pyrazine
CID 1487780
5-Chloro-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
CID 53467826
4-amino-2,6-di-(1H-pyrazol-1-yl)pyrimidine-5-carbonitrile
CID 53467828
Pyrazolo(1,5-a)pyrimidin-6-amine
CID 25247836
5-(1H-pyrazol-1-yl)pyrimidine
CID 54593304
6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 10749494
Pyrazolo[1,5-a]pyrimidin-3-amine
CID 21192071
5-N,5-N-dimethylpyrazolo[1,5-a]pyrimidine-3,5-diamine
CID 58611206
N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 91447993
5-Pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 129230006

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 151937131) is 6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine is Cn1cc(Nc2cc(-n3cc(N)cn3)ncn2)cn1.
What is the InChIKey of 6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is TTWMXQPUWIEDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N8/c1-18-6-9(4-15-18)17-10-2-11(14-7-13-10)19-5-8(12)3-16-19/h2-7H,12H2,1H3,(H,13,14,17).
What are the key properties of 6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 256.27 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 151937131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).