N-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C14H19N5 — CID 14256771

IUPACN-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESC=CCN(c1ncnc2[nH]ncc12)C1CCCCC1
InChIInChI=1S/C14H19N5/c1-2-8-19(11-6-4-3-5-7-11)14-12-9-17-18-13(12)15-10-16-14/h2,9-11H,1,3-8H2,(H,15,16,17,18)
InChIKeyBKYPRULDVHZAQA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.68
Rot. Bonds4

About N-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 14256771) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID14256771
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESC=CCN(c1ncnc2[nH]ncc12)C1CCCCC1
InChIInChI=1S/C14H19N5/c1-2-8-19(11-6-4-3-5-7-11)14-12-9-17-18-13(12)15-10-16-14/h2,9-11H,1,3-8H2,(H,15,16,17,18)
InChIKeyBKYPRULDVHZAQA-UHFFFAOYSA-N
XLogP2.68
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
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 N-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 14256771) is N-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is C=CCN(c1ncnc2[nH]ncc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is BKYPRULDVHZAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-8-19(11-6-4-3-5-7-11)14-12-9-17-18-13(12)15-10-16-14/h2,9-11H,1,3-8H2,(H,15,16,17,18).
What are the key properties of N-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-prop-2-enyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 14256771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).