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

C16H23FN6O — CID 128991961

IUPAC6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCCOc1cc(NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)ncn1
InChIInChI=1S/C16H23FN6O/c1-3-24-16-5-15(19-11-20-16)18-7-14-4-13(17)10-23(14)9-12-6-21-22(2)8-12/h5-6,8,11,13-14H,3-4,7,9-10H2,1-2H3,(H,18,19,20)/t13-,14-/m0/s1
InChIKeyCZDYYWVRSPAJAJ-KBPBESRZSA-N
MW334.40 g/mol
LogP1.63
Rot. Bonds7

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

6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 128991961) 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-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine
PubChem CID128991961
Molecular FormulaC16H23FN6O
Molecular Weight334.40 g/mol
Exact Mass334.19
IUPAC Name6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine
SMILESCCOc1cc(NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)ncn1
InChIInChI=1S/C16H23FN6O/c1-3-24-16-5-15(19-11-20-16)18-7-14-4-13(17)10-23(14)9-12-6-21-22(2)8-12/h5-6,8,11,13-14H,3-4,7,9-10H2,1-2H3,(H,18,19,20)/t13-,14-/m0/s1
InChIKeyCZDYYWVRSPAJAJ-KBPBESRZSA-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-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66329179
[4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 122360339
6-ethoxy-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 133464381
2-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile
CID 128967632
(2S)-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 129338589
2-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylacetamide
CID 128990564
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 128972057
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-[(3R,4S)-4-hydroxyoxolan-3-yl]acetamide
CID 166277898
1-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-3-pyridin-4-ylurea
CID 128969276
[5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol
CID 154753606
4-cyano-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]benzamide
CID 128990707
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidine-5-carboxamide
CID 154796675

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine (CID 128991961) is 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine is CCOc1cc(NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)ncn1.
What is the InChIKey of 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is CZDYYWVRSPAJAJ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23FN6O/c1-3-24-16-5-15(19-11-20-16)18-7-14-4-13(17)10-23(14)9-12-6-21-22(2)8-12/h5-6,8,11,13-14H,3-4,7,9-10H2,1-2H3,(H,18,19,20)/t13-,14-/m0/s1.
What are the key properties of 6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine?
6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-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-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 128991961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).