6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine

C20H25N5O — CID 142901875

IUPAC6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine
SMILESC/C=C\C(=C/CC)c1cc(Nc2cccnc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H25N5O/c1-3-6-16(7-4-2)18-14-19(22-17-8-5-9-21-15-17)24-20(23-18)25-10-12-26-13-11-25/h3,5-9,14-15H,4,10-13H2,1-2H3,(H,22,23,24)/b6-3-,16-7+
InChIKeyCJBHWQKNIYNVIH-BYTXJHPBSA-N
MW351.45 g/mol
LogP3.82
Rot. Bonds6

About 6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine

6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine (PubChem CID 142901875) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine
PubChem CID142901875
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine
SMILESC/C=C\C(=C/CC)c1cc(Nc2cccnc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H25N5O/c1-3-6-16(7-4-2)18-14-19(22-17-8-5-9-21-15-17)24-20(23-18)25-10-12-26-13-11-25/h3,5-9,14-15H,4,10-13H2,1-2H3,(H,22,23,24)/b6-3-,16-7+
InChIKeyCJBHWQKNIYNVIH-BYTXJHPBSA-N
XLogP3.82
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine (CID 142901875) is 6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine is C/C=C\C(=C/CC)c1cc(Nc2cccnc2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is CJBHWQKNIYNVIH-BYTXJHPBSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-6-16(7-4-2)18-14-19(22-17-8-5-9-21-15-17)24-20(23-18)25-10-12-26-13-11-25/h3,5-9,14-15H,4,10-13H2,1-2H3,(H,22,23,24)/b6-3-,16-7+.
What are the key properties of 6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine?
6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 351.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-morpholin-4-yl-N-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 142901875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).