6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane

C15H22FN7O — CID 145231642

IUPAC6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane
SMILESCC.C[C@H]1COCCN1c1nc(N)c(F)c(-c2cnc(N)nc2)n1
InChIInChI=1S/C13H16FN7O.C2H6/c1-7-6-22-3-2-21(7)13-19-10(9(14)11(15)20-13)8-4-17-12(16)18-5-8;1-2/h4-5,7H,2-3,6H2,1H3,(H2,15,19,20)(H2,16,17,18);1-2H3/t7-;/m0./s1
InChIKeyQUMQQKFBUPVDLU-FJXQXJEOSA-N
MW335.39 g/mol
LogP1.49
Rot. Bonds2

About 6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane

6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane (PubChem CID 145231642) has the molecular formula C15H22FN7O and a molecular weight of 335.39 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane
PubChem CID145231642
Molecular FormulaC15H22FN7O
Molecular Weight335.39 g/mol
Exact Mass335.19
IUPAC Name6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane
SMILESCC.C[C@H]1COCCN1c1nc(N)c(F)c(-c2cnc(N)nc2)n1
InChIInChI=1S/C13H16FN7O.C2H6/c1-7-6-22-3-2-21(7)13-19-10(9(14)11(15)20-13)8-4-17-12(16)18-5-8;1-2/h4-5,7H,2-3,6H2,1H3,(H2,15,19,20)(H2,16,17,18);1-2H3/t7-;/m0./s1
InChIKeyQUMQQKFBUPVDLU-FJXQXJEOSA-N
XLogP1.49
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane (CID 145231642) is 6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane is CC.C[C@H]1COCCN1c1nc(N)c(F)c(-c2cnc(N)nc2)n1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane?
The InChIKey is QUMQQKFBUPVDLU-FJXQXJEOSA-N. The full InChI is InChI=1S/C13H16FN7O.C2H6/c1-7-6-22-3-2-21(7)13-19-10(9(14)11(15)20-13)8-4-17-12(16)18-5-8;1-2/h4-5,7H,2-3,6H2,1H3,(H2,15,19,20)(H2,16,17,18);1-2H3/t7-;/m0./s1.
What are the key properties of 6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane?
6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane has a molecular weight of 335.39 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-5-fluoro-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-amine;ethane is sourced from PubChem (CID 145231642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).