[(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine

C19H24N4 — CID 69184696

IUPAC[(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine
SMILESC=CCN1CCCCC1C(N)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C19H24N4/c1-2-9-23-10-4-3-8-18(23)19(20)16-7-5-6-15(11-16)17-12-21-14-22-13-17/h2,5-7,11-14,18-19H,1,3-4,8-10,20H2
InChIKeyPKUBLPJOWUIRKP-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.18
Rot. Bonds5

About [(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine

[(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine (PubChem CID 69184696) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is [(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine.

Molecular Properties

Compound Name[(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine
PubChem CID69184696
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name[(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine
SMILESC=CCN1CCCCC1C(N)c1cccc(-c2cncnc2)c1
InChIInChI=1S/C19H24N4/c1-2-9-23-10-4-3-8-18(23)19(20)16-7-5-6-15(11-16)17-12-21-14-22-13-17/h2,5-7,11-14,18-19H,1,3-4,8-10,20H2
InChIKeyPKUBLPJOWUIRKP-UHFFFAOYSA-N
XLogP3.18
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.18
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 [(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine?
The IUPAC name of [(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine (CID 69184696) is [(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine.
What is the SMILES notation for [(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine?
The canonical SMILES for [(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine is C=CCN1CCCCC1C(N)c1cccc(-c2cncnc2)c1.
What is the InChIKey of [(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine?
The InChIKey is PKUBLPJOWUIRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-2-9-23-10-4-3-8-18(23)19(20)16-7-5-6-15(11-16)17-12-21-14-22-13-17/h2,5-7,11-14,18-19H,1,3-4,8-10,20H2.
What are the key properties of [(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine?
[(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine has a molecular weight of 308.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-prop-2-enylpiperidin-2-yl]-(3-pyrimidin-5-ylphenyl)methanamine is sourced from PubChem (CID 69184696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).