8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

C16H20N4O2 — CID 145092563

IUPAC8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILES[H]/N=C(C)/C(=C(/C)N)c1ccn2c(=O)c(C(C)C)cnc2c1O
InChIInChI=1S/C16H20N4O2/c1-8(2)12-7-19-15-14(21)11(5-6-20(15)16(12)22)13(9(3)17)10(4)18/h5-8,17,21H,18H2,1-4H3/b13-10+,17-9+
InChIKeyXFKSINXHWPZGGI-OVZWPINUSA-N
MW300.36 g/mol
LogP2.25
Rot. Bonds3

About 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 145092563) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID145092563
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILES[H]/N=C(C)/C(=C(/C)N)c1ccn2c(=O)c(C(C)C)cnc2c1O
InChIInChI=1S/C16H20N4O2/c1-8(2)12-7-19-15-14(21)11(5-6-20(15)16(12)22)13(9(3)17)10(4)18/h5-8,17,21H,18H2,1-4H3/b13-10+,17-9+
InChIKeyXFKSINXHWPZGGI-OVZWPINUSA-N
XLogP2.25
TPSA104.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 145092563) is 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is [H]/N=C(C)/C(=C(/C)N)c1ccn2c(=O)c(C(C)C)cnc2c1O.
What is the InChIKey of 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XFKSINXHWPZGGI-OVZWPINUSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-8(2)12-7-19-15-14(21)11(5-6-20(15)16(12)22)13(9(3)17)10(4)18/h5-8,17,21H,18H2,1-4H3/b13-10+,17-9+.
What are the key properties of 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 300.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-hydroxy-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 145092563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).