3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline

C16H19N5 — CID 146237581

IUPAC3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline
SMILESCCC/N=C/C(=C\N)c1cc(N)cc(-c2cncnc2)c1
InChIInChI=1S/C16H19N5/c1-2-3-19-8-14(7-17)12-4-13(6-16(18)5-12)15-9-20-11-21-10-15/h4-11H,2-3,17-18H2,1H3/b14-7+,19-8+
InChIKeySJHDHOJKLOPYDP-NWOJFKCQSA-N
MW281.36 g/mol
LogP2.51
Rot. Bonds5

About 3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline

3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline (PubChem CID 146237581) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline.

Molecular Properties

Compound Name3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline
PubChem CID146237581
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline
SMILESCCC/N=C/C(=C\N)c1cc(N)cc(-c2cncnc2)c1
InChIInChI=1S/C16H19N5/c1-2-3-19-8-14(7-17)12-4-13(6-16(18)5-12)15-9-20-11-21-10-15/h4-11H,2-3,17-18H2,1H3/b14-7+,19-8+
InChIKeySJHDHOJKLOPYDP-NWOJFKCQSA-N
XLogP2.51
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline?
The IUPAC name of 3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline (CID 146237581) is 3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline.
What is the SMILES notation for 3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline?
The canonical SMILES for 3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline is CCC/N=C/C(=C\N)c1cc(N)cc(-c2cncnc2)c1.
What is the InChIKey of 3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline?
The InChIKey is SJHDHOJKLOPYDP-NWOJFKCQSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-3-19-8-14(7-17)12-4-13(6-16(18)5-12)15-9-20-11-21-10-15/h4-11H,2-3,17-18H2,1H3/b14-7+,19-8+.
What are the key properties of 3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline?
3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline has a molecular weight of 281.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-amino-3-propyliminoprop-1-en-2-yl]-5-pyrimidin-5-ylaniline is sourced from PubChem (CID 146237581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).