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

C15H21FN6O — CID 128990941

IUPACN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)n1
InChIInChI=1S/C15H21FN6O/c1-21-8-11(6-19-21)9-22-10-12(16)5-13(22)7-18-15-17-4-3-14(20-15)23-2/h3-4,6,8,12-13H,5,7,9-10H2,1-2H3,(H,17,18,20)/t12-,13-/m0/s1
InChIKeyRJLJGYSJTSUBSC-STQMWFEESA-N
MW320.37 g/mol
LogP1.24
Rot. Bonds6

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

N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine (PubChem CID 128990941) has the molecular formula C15H21FN6O and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine
PubChem CID128990941
Molecular FormulaC15H21FN6O
Molecular Weight320.37 g/mol
Exact Mass320.18
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)n1
InChIInChI=1S/C15H21FN6O/c1-21-8-11(6-19-21)9-22-10-12(16)5-13(22)7-18-15-17-4-3-14(20-15)23-2/h3-4,6,8,12-13H,5,7,9-10H2,1-2H3,(H,17,18,20)/t12-,13-/m0/s1
InChIKeyRJLJGYSJTSUBSC-STQMWFEESA-N
XLogP1.24
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(6-Methoxypyrimidin-4-yl)-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396996
4-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidin-2-amine
CID 53623653
6-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 95147282
4-methoxy-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine
CID 95314796
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine
CID 128972810
4-methoxy-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-5-amine
CID 136572027
N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 167067348
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methoxy-N-methylpyrimidin-2-amine
CID 128970805
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 128971477
6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 128973999
6-ethoxy-N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methylpyrimidin-4-amine
CID 128974786
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxy-N-methylpyrimidin-2-amine
CID 128974859

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine (CID 128990941) is N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NC[C@@H]2C[C@H](F)CN2Cc2cnn(C)c2)n1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is RJLJGYSJTSUBSC-STQMWFEESA-N. The full InChI is InChI=1S/C15H21FN6O/c1-21-8-11(6-19-21)9-22-10-12(16)5-13(22)7-18-15-17-4-3-14(20-15)23-2/h3-4,6,8,12-13H,5,7,9-10H2,1-2H3,(H,17,18,20)/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine?
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 320.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 128990941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).