1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide

About 1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide

1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide (PubChem CID 142996727) has the molecular formula C22H36FN7O and a molecular weight of 433.58 g/mol. Its IUPAC name is 1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide.

Molecular Properties

Compound Name	1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide
PubChem CID	142996727
Molecular Formula	C22H36FN7O
Molecular Weight	433.58 g/mol
Exact Mass	433.30
IUPAC Name	1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide
SMILES	C/C=C\N=C(/C)CF.CCCC1=C(Cn2ccnc2C)N=CN(/N=C(\N)C(C)(C)O)C1
InChI	InChI=1S/C16H26N6O.C6H10FN/c1-5-6-13-9-22(20-15(17)16(3,4)23)11-19-14(13)10-21-8-7-18-12(21)2;1-3-4-8-6(2)5-7/h7-8,11,23H,5-6,9-10H2,1-4H3,(H2,17,20);3-4H,5H2,1-2H3/b;4-3-,8-6+
InChIKey	NOHXVJMWWZPXJD-ILUQZFIZSA-N
XLogP	3.58
TPSA	104.39 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.58
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide?

The IUPAC name of 1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide (CID 142996727) is 1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide.

What is the SMILES notation for 1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide?

The canonical SMILES for 1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide is C/C=C\N=C(/C)CF.CCCC1=C(Cn2ccnc2C)N=CN(/N=C(\N)C(C)(C)O)C1.

What is the InChIKey of 1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide?

The InChIKey is NOHXVJMWWZPXJD-ILUQZFIZSA-N. The full InChI is InChI=1S/C16H26N6O.C6H10FN/c1-5-6-13-9-22(20-15(17)16(3,4)23)11-19-14(13)10-21-8-7-18-12(21)2;1-3-4-8-6(2)5-7/h7-8,11,23H,5-6,9-10H2,1-4H3,(H2,17,20);3-4H,5H2,1-2H3/b;4-3-,8-6+.

What are the key properties of 1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide?

1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide has a molecular weight of 433.58 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-N-[(Z)-prop-1-enyl]propan-2-imine;2-hydroxy-2-methyl-N'-[6-[(2-methylimidazol-1-yl)methyl]-5-propyl-4H-pyrimidin-3-yl]propanimidamide is sourced from PubChem (CID 142996727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).