5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C16H22N4 — CID 90925643

IUPAC5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC=C1CCC(c2cc(N(C)C)n3nccc3n2)CC1
InChIInChI=1S/C16H22N4/c1-4-12-5-7-13(8-6-12)14-11-16(19(2)3)20-15(18-14)9-10-17-20/h4,9-11,13H,5-8H2,1-3H3/b12-4-
InChIKeySDDWONIXIKDRKR-QCDXTXTGSA-N
MW270.38 g/mol
LogP3.40
Rot. Bonds2

About 5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 90925643) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID90925643
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC=C1CCC(c2cc(N(C)C)n3nccc3n2)CC1
InChIInChI=1S/C16H22N4/c1-4-12-5-7-13(8-6-12)14-11-16(19(2)3)20-15(18-14)9-10-17-20/h4,9-11,13H,5-8H2,1-3H3/b12-4-
InChIKeySDDWONIXIKDRKR-QCDXTXTGSA-N
XLogP3.40
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 90925643) is 5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is CC=C1CCC(c2cc(N(C)C)n3nccc3n2)CC1.
What is the InChIKey of 5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SDDWONIXIKDRKR-QCDXTXTGSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-12-5-7-13(8-6-12)14-11-16(19(2)3)20-15(18-14)9-10-17-20/h4,9-11,13H,5-8H2,1-3H3/b12-4-.
What are the key properties of 5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 270.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylidenecyclohexyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 90925643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).