1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

C14H19N5 — CID 107384319

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCc1cc(C)nc(-n2ncc3c2CCCCC3N)n1
InChIInChI=1S/C14H19N5/c1-9-7-10(2)18-14(17-9)19-13-6-4-3-5-12(15)11(13)8-16-19/h7-8,12H,3-6,15H2,1-2H3
InChIKeySRWRRXQLGBFRTR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.01
Rot. Bonds1

About 1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (PubChem CID 107384319) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
PubChem CID107384319
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCc1cc(C)nc(-n2ncc3c2CCCCC3N)n1
InChIInChI=1S/C14H19N5/c1-9-7-10(2)18-14(17-9)19-13-6-4-3-5-12(15)11(13)8-16-19/h7-8,12H,3-6,15H2,1-2H3
InChIKeySRWRRXQLGBFRTR-UHFFFAOYSA-N
XLogP2.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (CID 107384319) is 1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is Cc1cc(C)nc(-n2ncc3c2CCCCC3N)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The InChIKey is SRWRRXQLGBFRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-9-7-10(2)18-14(17-9)19-13-6-4-3-5-12(15)11(13)8-16-19/h7-8,12H,3-6,15H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is sourced from PubChem (CID 107384319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).