3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

C11H15N5 — CID 76847213

IUPAC3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESC=CCNc1ncnc2c(C(C)C)[nH]nc12
InChIInChI=1S/C11H15N5/c1-4-5-12-11-10-9(13-6-14-11)8(7(2)3)15-16-10/h4,6-7H,1,5H2,2-3H3,(H,15,16)(H,12,13,14)
InChIKeyORQHAXVFGMMZNX-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.07
Rot. Bonds4

About 3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 76847213) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID76847213
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESC=CCNc1ncnc2c(C(C)C)[nH]nc12
InChIInChI=1S/C11H15N5/c1-4-5-12-11-10-9(13-6-14-11)8(7(2)3)15-16-10/h4,6-7H,1,5H2,2-3H3,(H,15,16)(H,12,13,14)
InChIKeyORQHAXVFGMMZNX-UHFFFAOYSA-N
XLogP2.07
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-N-[(4-pyridin-2-ylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 122688235
6-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 62142623
2-methyl-N-prop-2-enyl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 131113927
4-N-tert-butyl-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540214
6-methyl-N-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 130978964
N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 76848839
N-prop-2-enyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831874
6-chloro-4-N,5-N,5-N-tris(prop-2-enyl)pyrimidine-4,5-diamine
CID 87329948
4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22544255
5-chloro-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 15746030
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22540447
6-N-butyl-5-nitro-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 23486666

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (CID 76847213) is 3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is C=CCNc1ncnc2c(C(C)C)[nH]nc12.
What is the InChIKey of 3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is ORQHAXVFGMMZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-4-5-12-11-10-9(13-6-14-11)8(7(2)3)15-16-10/h4,6-7H,1,5H2,2-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 217.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-prop-2-enyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 76847213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).