6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine

C18H27FN6 — CID 129006983

IUPAC6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1F
InChIInChI=1S/C18H27FN6/c1-5-15-16(19)18(21-12-20-15)24(3)10-13-7-6-8-23(2)17(13)14-9-22-25(4)11-14/h9,11-13,17H,5-8,10H2,1-4H3/t13-,17+/m0/s1
InChIKeyKAJFOCRCNYEYEE-SUMWQHHRSA-N
MW346.45 g/mol
LogP2.43
Rot. Bonds5

About 6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 129006983) has the molecular formula C18H27FN6 and a molecular weight of 346.45 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID129006983
Molecular FormulaC18H27FN6
Molecular Weight346.45 g/mol
Exact Mass346.23
IUPAC Name6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1F
InChIInChI=1S/C18H27FN6/c1-5-15-16(19)18(21-12-20-15)24(3)10-13-7-6-8-23(2)17(13)14-9-22-25(4)11-14/h9,11-13,17H,5-8,10H2,1-4H3/t13-,17+/m0/s1
InChIKeyKAJFOCRCNYEYEE-SUMWQHHRSA-N
XLogP2.43
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]pyrazin-2-one
CID 128992107
4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 128998259
5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1,3-benzoxazol-2-amine
CID 128997694
N-[(3-fluorophenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128998061
N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]but-2-en-1-amine
CID 128994586
2-imidazol-1-yl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]ethanamine
CID 128998321
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128966899
N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120905322
N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120905321
3-(1-methoxybutan-2-yl)-1-methyl-1-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]urea
CID 128997167
N-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128992634
2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile
CID 128996893

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine (CID 129006983) is 6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine is CCc1ncnc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is KAJFOCRCNYEYEE-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H27FN6/c1-5-15-16(19)18(21-12-20-15)24(3)10-13-7-6-8-23(2)17(13)14-9-22-25(4)11-14/h9,11-13,17H,5-8,10H2,1-4H3/t13-,17+/m0/s1.
What are the key properties of 6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 346.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 129006983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).