6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine

C16H23FN6O — CID 128973999

IUPAC6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCCOc1cc(NC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)ncn1
InChIInChI=1S/C16H23FN6O/c1-3-24-16-7-15(19-11-20-16)18-8-14-6-12(17)9-23(14)10-13-4-5-21-22(13)2/h4-5,7,11-12,14H,3,6,8-10H2,1-2H3,(H,18,19,20)/t12-,14-/m0/s1
InChIKeyHYEQJGWUTVFUDA-JSGCOSHPSA-N
MW334.40 g/mol
LogP1.63
Rot. Bonds7

About 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine

6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 128973999) has the molecular formula C16H23FN6O and a molecular weight of 334.40 g/mol. Its IUPAC name is 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine
PubChem CID128973999
Molecular FormulaC16H23FN6O
Molecular Weight334.40 g/mol
Exact Mass334.19
IUPAC Name6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCCOc1cc(NC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)ncn1
InChIInChI=1S/C16H23FN6O/c1-3-24-16-7-15(19-11-20-16)18-8-14-6-12(17)9-23(14)10-13-4-5-21-22(13)2/h4-5,7,11-12,14H,3,6,8-10H2,1-2H3,(H,18,19,20)/t12-,14-/m0/s1
InChIKeyHYEQJGWUTVFUDA-JSGCOSHPSA-N
XLogP1.63
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

4-[6-[3-(5-Methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-(trifluoromethyl)morpholine
CID 166627387
4-[2-(5-Methylpyrazol-1-yl)ethoxy]-6-piperidin-1-ylpyrimidine
CID 166634775
4-[3-(5-Methylpyrazol-1-yl)propoxy]-6-piperidin-1-ylpyrimidine
CID 166635102
US11578061, Example 19
CID 165385852
US11578061, Example 60
CID 165385907
WO2023001061, Example 7
CID 166594735
8-(6-Methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396974
4-ethoxy-2-(1-propyl-1H-pyrazol-5-yl)pyrimidine
CID 121511647
5-(6-ethoxypyrimidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 122154069
N-[[(2S,4S)-4-methoxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 132367291
5-[6-[(3S)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidin-4-yl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 59566509
5-[6-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-methylpyrimidin-4-yl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 66790875

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine (CID 128973999) is 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine is CCOc1cc(NC[C@@H]2C[C@H](F)CN2Cc2ccnn2C)ncn1.
What is the InChIKey of 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is HYEQJGWUTVFUDA-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H23FN6O/c1-3-24-16-7-15(19-11-20-16)18-8-14-6-12(17)9-23(14)10-13-4-5-21-22(13)2/h4-5,7,11-12,14H,3,6,8-10H2,1-2H3,(H,18,19,20)/t12-,14-/m0/s1.
What are the key properties of 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 334.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 128973999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).