7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one

C18H25N5O2 — CID 145092566

IUPAC7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1cnc2c(O)cc(/C(N)=C/N(N)C3CCCC3)cn2c1=O
InChIInChI=1S/C18H25N5O2/c1-2-5-12-9-21-17-16(24)8-13(10-22(17)18(12)25)15(19)11-23(20)14-6-3-4-7-14/h8-11,14,24H,2-7,19-20H2,1H3/b15-11-
InChIKeyYIPAEAKKRKOYNN-PTNGSMBKSA-N
MW343.43 g/mol
LogP1.73
Rot. Bonds5

About 7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one

7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 145092566) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
PubChem CID145092566
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one
SMILESCCCc1cnc2c(O)cc(/C(N)=C/N(N)C3CCCC3)cn2c1=O
InChIInChI=1S/C18H25N5O2/c1-2-5-12-9-21-17-16(24)8-13(10-22(17)18(12)25)15(19)11-23(20)14-6-3-4-7-14/h8-11,14,24H,2-7,19-20H2,1H3/b15-11-
InChIKeyYIPAEAKKRKOYNN-PTNGSMBKSA-N
XLogP1.73
TPSA109.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one (CID 145092566) is 7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one is CCCc1cnc2c(O)cc(/C(N)=C/N(N)C3CCCC3)cn2c1=O.
What is the InChIKey of 7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YIPAEAKKRKOYNN-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-5-12-9-21-17-16(24)8-13(10-22(17)18(12)25)15(19)11-23(20)14-6-3-4-7-14/h8-11,14,24H,2-7,19-20H2,1H3/b15-11-.
What are the key properties of 7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one?
7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 343.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-1-amino-2-[amino(cyclopentyl)amino]ethenyl]-9-hydroxy-3-propylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 145092566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).