4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol

C15H19N3OS — CID 155380034

IUPAC4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol
SMILES[H]/N=C(\C=C)C1=C2CC(O)CN2C(C(=C)S/C=C\C)=NC1
InChIInChI=1S/C15H19N3OS/c1-4-6-20-10(3)15-17-8-12(13(16)5-2)14-7-11(19)9-18(14)15/h4-6,11,16,19H,2-3,7-9H2,1H3/b6-4-,16-13+
InChIKeyJFKKOUORTDCMME-UEWGSTKPSA-N
MW289.40 g/mol
LogP2.71
Rot. Bonds5

About 4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol

4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol (PubChem CID 155380034) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol.

Molecular Properties

Compound Name4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol
PubChem CID155380034
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol
SMILES[H]/N=C(\C=C)C1=C2CC(O)CN2C(C(=C)S/C=C\C)=NC1
InChIInChI=1S/C15H19N3OS/c1-4-6-20-10(3)15-17-8-12(13(16)5-2)14-7-11(19)9-18(14)15/h4-6,11,16,19H,2-3,7-9H2,1H3/b6-4-,16-13+
InChIKeyJFKKOUORTDCMME-UEWGSTKPSA-N
XLogP2.71
TPSA59.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol?
The IUPAC name of 4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol (CID 155380034) is 4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol.
What is the SMILES notation for 4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol?
The canonical SMILES for 4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol is [H]/N=C(\C=C)C1=C2CC(O)CN2C(C(=C)S/C=C\C)=NC1.
What is the InChIKey of 4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol?
The InChIKey is JFKKOUORTDCMME-UEWGSTKPSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-6-20-10(3)15-17-8-12(13(16)5-2)14-7-11(19)9-18(14)15/h4-6,11,16,19H,2-3,7-9H2,1H3/b6-4-,16-13+.
What are the key properties of 4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol?
4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol has a molecular weight of 289.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enimidoyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-ol is sourced from PubChem (CID 155380034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).