5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine

C15H23FN6O — CID 123427026

IUPAC5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine
SMILESCC1(CNc2cc(C3NC(N)=NCC3F)cnn2)CCOCC1
InChIInChI=1S/C15H23FN6O/c1-15(2-4-23-5-3-15)9-19-12-6-10(7-20-22-12)13-11(16)8-18-14(17)21-13/h6-7,11,13H,2-5,8-9H2,1H3,(H,19,22)(H3,17,18,21)
InChIKeyZCJSMCFQAKZCGE-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.00
Rot. Bonds4

About 5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine

5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine (PubChem CID 123427026) has the molecular formula C15H23FN6O and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine
PubChem CID123427026
Molecular FormulaC15H23FN6O
Molecular Weight322.39 g/mol
Exact Mass322.19
IUPAC Name5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine
SMILESCC1(CNc2cc(C3NC(N)=NCC3F)cnn2)CCOCC1
InChIInChI=1S/C15H23FN6O/c1-15(2-4-23-5-3-15)9-19-12-6-10(7-20-22-12)13-11(16)8-18-14(17)21-13/h6-7,11,13H,2-5,8-9H2,1H3,(H,19,22)(H3,17,18,21)
InChIKeyZCJSMCFQAKZCGE-UHFFFAOYSA-N
XLogP1.00
TPSA97.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine?
The IUPAC name of 5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine (CID 123427026) is 5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine is CC1(CNc2cc(C3NC(N)=NCC3F)cnn2)CCOCC1.
What is the InChIKey of 5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine?
The InChIKey is ZCJSMCFQAKZCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN6O/c1-15(2-4-23-5-3-15)9-19-12-6-10(7-20-22-12)13-11(16)8-18-14(17)21-13/h6-7,11,13H,2-5,8-9H2,1H3,(H,19,22)(H3,17,18,21).
What are the key properties of 5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine?
5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine has a molecular weight of 322.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-fluoro-1,4,5,6-tetrahydropyrimidin-6-yl)-N-[(4-methyloxan-4-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 123427026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).