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

C17H24N4O — CID 163488009

IUPAC8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
SMILES[H]/N=C(C)/C(C1=C(C)C2NC=C(C(C)C)C(=O)N2C=C1)=C(/C)N
InChIInChI=1S/C17H24N4O/c1-9(2)14-8-20-16-10(3)13(6-7-21(16)17(14)22)15(11(4)18)12(5)19/h6-9,16,18,20H,19H2,1-5H3/b15-12+,18-11+
InChIKeyCKFGURBBGOZDOQ-PUWVMBCZSA-N
MW300.41 g/mol
LogP2.40
Rot. Bonds3

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

8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 163488009) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
PubChem CID163488009
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
SMILES[H]/N=C(C)/C(C1=C(C)C2NC=C(C(C)C)C(=O)N2C=C1)=C(/C)N
InChIInChI=1S/C17H24N4O/c1-9(2)14-8-20-16-10(3)13(6-7-21(16)17(14)22)15(11(4)18)12(5)19/h6-9,16,18,20H,19H2,1-5H3/b15-12+,18-11+
InChIKeyCKFGURBBGOZDOQ-PUWVMBCZSA-N
XLogP2.40
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one (CID 163488009) is 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one is [H]/N=C(C)/C(C1=C(C)C2NC=C(C(C)C)C(=O)N2C=C1)=C(/C)N.
What is the InChIKey of 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CKFGURBBGOZDOQ-PUWVMBCZSA-N. The full InChI is InChI=1S/C17H24N4O/c1-9(2)14-8-20-16-10(3)13(6-7-21(16)17(14)22)15(11(4)18)12(5)19/h6-9,16,18,20H,19H2,1-5H3/b15-12+,18-11+.
What are the key properties of 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one?
8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 300.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(Z)-2-amino-4-iminopent-2-en-3-yl]-9-methyl-3-propan-2-yl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 163488009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).