5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine

C18H19FN6OS — CID 71272309

IUPAC5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine
SMILESCc1ccc([C@H]2C[C@@H]2COc2nc(N)nc(Cc3nnc(C)s3)c2F)nc1
InChIInChI=1S/C18H19FN6OS/c1-9-3-4-13(21-7-9)12-5-11(12)8-26-17-16(19)14(22-18(20)23-17)6-15-25-24-10(2)27-15/h3-4,7,11-12H,5-6,8H2,1-2H3,(H2,20,22,23)/t11-,12+/m1/s1
InChIKeyONXGDGDQXKQMRG-NEPJUHHUSA-N
MW386.46 g/mol
LogP2.83
Rot. Bonds6

About 5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine

5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine (PubChem CID 71272309) has the molecular formula C18H19FN6OS and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine
PubChem CID71272309
Molecular FormulaC18H19FN6OS
Molecular Weight386.46 g/mol
Exact Mass386.13
IUPAC Name5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine
SMILESCc1ccc([C@H]2C[C@@H]2COc2nc(N)nc(Cc3nnc(C)s3)c2F)nc1
InChIInChI=1S/C18H19FN6OS/c1-9-3-4-13(21-7-9)12-5-11(12)8-26-17-16(19)14(22-18(20)23-17)6-15-25-24-10(2)27-15/h3-4,7,11-12H,5-6,8H2,1-2H3,(H2,20,22,23)/t11-,12+/m1/s1
InChIKeyONXGDGDQXKQMRG-NEPJUHHUSA-N
XLogP2.83
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine (CID 71272309) is 5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine is Cc1ccc([C@H]2C[C@@H]2COc2nc(N)nc(Cc3nnc(C)s3)c2F)nc1.
What is the InChIKey of 5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is ONXGDGDQXKQMRG-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H19FN6OS/c1-9-3-4-13(21-7-9)12-5-11(12)8-26-17-16(19)14(22-18(20)23-17)6-15-25-24-10(2)27-15/h3-4,7,11-12H,5-6,8H2,1-2H3,(H2,20,22,23)/t11-,12+/m1/s1.
What are the key properties of 5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine?
5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 386.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]-6-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 71272309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).