5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine

C15H20FN5OS — CID 50966327

IUPAC5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
SMILESCCCc1nc(CNc2ncc(F)c(N3CCOCC3)n2)cs1
InChIInChI=1S/C15H20FN5OS/c1-2-3-13-19-11(10-23-13)8-17-15-18-9-12(16)14(20-15)21-4-6-22-7-5-21/h9-10H,2-8H2,1H3,(H,17,18,20)
InChIKeyFZMSBLMNRXXWON-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.47
Rot. Bonds6

About 5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine

5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 50966327) has the molecular formula C15H20FN5OS and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID50966327
Molecular FormulaC15H20FN5OS
Molecular Weight337.42 g/mol
Exact Mass337.14
IUPAC Name5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
SMILESCCCc1nc(CNc2ncc(F)c(N3CCOCC3)n2)cs1
InChIInChI=1S/C15H20FN5OS/c1-2-3-13-19-11(10-23-13)8-17-15-18-9-12(16)14(20-15)21-4-6-22-7-5-21/h9-10H,2-8H2,1H3,(H,17,18,20)
InChIKeyFZMSBLMNRXXWON-UHFFFAOYSA-N
XLogP2.47
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine (CID 50966327) is 5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine is CCCc1nc(CNc2ncc(F)c(N3CCOCC3)n2)cs1.
What is the InChIKey of 5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is FZMSBLMNRXXWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5OS/c1-2-3-13-19-11(10-23-13)8-17-15-18-9-12(16)14(20-15)21-4-6-22-7-5-21/h9-10H,2-8H2,1H3,(H,17,18,20).
What are the key properties of 5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine?
5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 337.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 50966327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).