6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine

C13H19FN6O — CID 164633271

IUPAC6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(N[C@@H](C)c2nncn2CCOC)c1F
InChIInChI=1S/C13H19FN6O/c1-4-10-11(14)12(16-7-15-10)18-9(2)13-19-17-8-20(13)5-6-21-3/h7-9H,4-6H2,1-3H3,(H,15,16,18)/t9-/m0/s1
InChIKeyZKXMOGZKTNBRBD-VIFPVBQESA-N
MW294.33 g/mol
LogP1.59
Rot. Bonds7

About 6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine (PubChem CID 164633271) has the molecular formula C13H19FN6O and a molecular weight of 294.33 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
PubChem CID164633271
Molecular FormulaC13H19FN6O
Molecular Weight294.33 g/mol
Exact Mass294.16
IUPAC Name6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
SMILESCCc1ncnc(N[C@@H](C)c2nncn2CCOC)c1F
InChIInChI=1S/C13H19FN6O/c1-4-10-11(14)12(16-7-15-10)18-9(2)13-19-17-8-20(13)5-6-21-3/h7-9H,4-6H2,1-3H3,(H,15,16,18)/t9-/m0/s1
InChIKeyZKXMOGZKTNBRBD-VIFPVBQESA-N
XLogP1.59
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 51105033
2-ethyl-N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine dihydrochloride
CID 56898083
N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N~4~-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72854321
6-ethyl-N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N~4~,5-dimethylpyrimidine-2,4-diamine
CID 72858141
N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-2,5,6-trimethylpyrimidin-4-amine
CID 72853847
5-ethyl-N~4~-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-6-methylpyrimidine-2,4-diamine
CID 72927426
6-ethyl-5-fluoro-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine
CID 75504417
1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine
CID 136571599
5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56820776
6-ethyl-5-fluoro-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 75438012
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 75517705
6-ethyl-5-fluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 84597685

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine (CID 164633271) is 6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine is CCc1ncnc(N[C@@H](C)c2nncn2CCOC)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine?
The InChIKey is ZKXMOGZKTNBRBD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19FN6O/c1-4-10-11(14)12(16-7-15-10)18-9(2)13-19-17-8-20(13)5-6-21-3/h7-9H,4-6H2,1-3H3,(H,15,16,18)/t9-/m0/s1.
What are the key properties of 6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine has a molecular weight of 294.33 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 164633271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).