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

C16H23FN6S — CID 128972667

IUPAC2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nccc(N)n2)cs1
InChIInChI=1S/C16H23FN6S/c1-11-20-13(10-24-11)7-23-6-12(17)5-14(23)8-22(2)9-16-19-4-3-15(18)21-16/h3-4,10,12,14H,5-9H2,1-2H3,(H2,18,19,21)/t12-,14-/m0/s1
InChIKeyQLYMQTJLWYDELW-JSGCOSHPSA-N
MW350.47 g/mol
LogP1.87
Rot. Bonds6

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

2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine (PubChem CID 128972667) has the molecular formula C16H23FN6S and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine
PubChem CID128972667
Molecular FormulaC16H23FN6S
Molecular Weight350.47 g/mol
Exact Mass350.17
IUPAC Name2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine
SMILESCc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nccc(N)n2)cs1
InChIInChI=1S/C16H23FN6S/c1-11-20-13(10-24-11)7-23-6-12(17)5-14(23)8-22(2)9-16-19-4-3-15(18)21-16/h3-4,10,12,14H,5-9H2,1-2H3,(H2,18,19,21)/t12-,14-/m0/s1
InChIKeyQLYMQTJLWYDELW-JSGCOSHPSA-N
XLogP1.87
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(2-Methylpyrrolidin-1-yl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidine
CID 16662936
4-[[4-(Cyclopropylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 45833433
4-[(4-Methylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 56821968
1-[(4-Methyl-1,3-thiazol-2-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 45827576
2-Pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 47053717
N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 47053761
4-[(4-Propylazepan-1-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 48941159
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 51084056
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 53502407
2-[Propan-2-yl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 53525087
2-Pyrimidin-2-yl-4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 53566154
6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 56778107

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine (CID 128972667) is 2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine is Cc1nc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2nccc(N)n2)cs1.
What is the InChIKey of 2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine?
The InChIKey is QLYMQTJLWYDELW-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H23FN6S/c1-11-20-13(10-24-11)7-23-6-12(17)5-14(23)8-22(2)9-16-19-4-3-15(18)21-16/h3-4,10,12,14H,5-9H2,1-2H3,(H2,18,19,21)/t12-,14-/m0/s1.
What are the key properties of 2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine?
2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine has a molecular weight of 350.47 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 128972667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).