5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine

C14H16F2N6 — CID 128974852

IUPAC5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine
SMILESCN(C[C@@H]1C[C@H](F)CN1c1ccncn1)c1ncc(F)cn1
InChIInChI=1S/C14H16F2N6/c1-21(14-18-5-11(16)6-19-14)8-12-4-10(15)7-22(12)13-2-3-17-9-20-13/h2-3,5-6,9-10,12H,4,7-8H2,1H3/t10-,12-/m0/s1
InChIKeyVDYZGULNAWVCIV-JQWIXIFHSA-N
MW306.32 g/mol
LogP1.46
Rot. Bonds4

About 5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine

5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine (PubChem CID 128974852) has the molecular formula C14H16F2N6 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine
PubChem CID128974852
Molecular FormulaC14H16F2N6
Molecular Weight306.32 g/mol
Exact Mass306.14
IUPAC Name5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine
SMILESCN(C[C@@H]1C[C@H](F)CN1c1ccncn1)c1ncc(F)cn1
InChIInChI=1S/C14H16F2N6/c1-21(14-18-5-11(16)6-19-14)8-12-4-10(15)7-22(12)13-2-3-17-9-20-13/h2-3,5-6,9-10,12H,4,7-8H2,1H3/t10-,12-/m0/s1
InChIKeyVDYZGULNAWVCIV-JQWIXIFHSA-N
XLogP1.46
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine with MolForge

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Related Compounds

3-ethyl-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 128975037
1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-(3-methylbutan-2-yl)urea
CID 128987765
1-[(2S,4R)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]-N-methylmethanamine
CID 124710405
cis-(1S,3R)-3-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066852
N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,2-dimethyl-1H-imidazole-5-carboxamide
CID 128987798
[5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol
CID 128991059
1-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-1-methyl-3-pyridin-2-ylurea
CID 128974785
N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 128994705
2-[(1S)-cyclopent-2-en-1-yl]-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylacetamide
CID 129474159
5-[[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120905363
N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 104606790
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 128991265

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine (CID 128974852) is 5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine is CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)c1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine?
The InChIKey is VDYZGULNAWVCIV-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H16F2N6/c1-21(14-18-5-11(16)6-19-14)8-12-4-10(15)7-22(12)13-2-3-17-9-20-13/h2-3,5-6,9-10,12H,4,7-8H2,1H3/t10-,12-/m0/s1.
What are the key properties of 5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine?
5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine has a molecular weight of 306.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 128974852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).