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

C14H19FN6 — CID 128969411

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine
SMILESCn1nccc1CN1C[C@@H](F)C[C@H]1CNc1ncccn1
InChIInChI=1S/C14H19FN6/c1-20-12(3-6-19-20)10-21-9-11(15)7-13(21)8-18-14-16-4-2-5-17-14/h2-6,11,13H,7-10H2,1H3,(H,16,17,18)/t11-,13-/m0/s1
InChIKeyOSJFDNLCDJETNU-AAEUAGOBSA-N
MW290.35 g/mol
LogP1.23
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 128969411) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine
PubChem CID128969411
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine
SMILESCn1nccc1CN1C[C@@H](F)C[C@H]1CNc1ncccn1
InChIInChI=1S/C14H19FN6/c1-20-12(3-6-19-20)10-21-9-11(15)7-13(21)8-18-14-16-4-2-5-17-14/h2-6,11,13H,7-10H2,1H3,(H,16,17,18)/t11-,13-/m0/s1
InChIKeyOSJFDNLCDJETNU-AAEUAGOBSA-N
XLogP1.23
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 72945318
4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
CID 145900911
N2,N4-bis(4,4-difluorocyclohexyl)-6-(1-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 117817330
2-N,4-N-bis[(2S)-1,1,1-trifluorobutan-2-yl]-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
CID 117817560
6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 117817582
US11214565, Example D-49
CID 135374692
US11214565, Example D-27
CID 135375052
4-N-(2,2-difluoroethyl)-2-N-[5-methyl-1-(3-pyrazol-1-ylcyclobutyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943283
4-N-ethyl-2-N-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]cyclobutyl]-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943305
4-N-ethyl-2-N-[1-[3-[(3S)-3-fluoropyrrolidin-1-yl]cyclobutyl]-5-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 140943382

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine (CID 128969411) is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine is Cn1nccc1CN1C[C@@H](F)C[C@H]1CNc1ncccn1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is OSJFDNLCDJETNU-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H19FN6/c1-20-12(3-6-19-20)10-21-9-11(15)7-13(21)8-18-14-16-4-2-5-17-14/h2-6,11,13H,7-10H2,1H3,(H,16,17,18)/t11-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine?
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 290.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 128969411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).