6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine

C15H20FN5 — CID 129340085

IUPAC6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N(C)C[C@@H]2CCc3nccn3C2)c1F
InChIInChI=1S/C15H20FN5/c1-3-12-14(16)15(19-10-18-12)20(2)8-11-4-5-13-17-6-7-21(13)9-11/h6-7,10-11H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyWVXVYCOSMPZSQQ-NSHDSACASA-N
MW289.36 g/mol
LogP2.07
Rot. Bonds4

About 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine (PubChem CID 129340085) has the molecular formula C15H20FN5 and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
PubChem CID129340085
Molecular FormulaC15H20FN5
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N(C)C[C@@H]2CCc3nccn3C2)c1F
InChIInChI=1S/C15H20FN5/c1-3-12-14(16)15(19-10-18-12)20(2)8-11-4-5-13-17-6-7-21(13)9-11/h6-7,10-11H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyWVXVYCOSMPZSQQ-NSHDSACASA-N
XLogP2.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine (CID 129340085) is 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine is CCc1ncnc(N(C)C[C@@H]2CCc3nccn3C2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
The InChIKey is WVXVYCOSMPZSQQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FN5/c1-3-12-14(16)15(19-10-18-12)20(2)8-11-4-5-13-17-6-7-21(13)9-11/h6-7,10-11H,3-5,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine has a molecular weight of 289.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-methyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 129340085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).