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

C15H21FN6S — CID 128993746

IUPAC2-[[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine
SMILESCN(Cc1nccc(N)n1)C[C@@H]1C[C@H](F)CN1Cc1nccs1
InChIInChI=1S/C15H21FN6S/c1-21(9-14-18-3-2-13(17)20-14)8-12-6-11(16)7-22(12)10-15-19-4-5-23-15/h2-5,11-12H,6-10H2,1H3,(H2,17,18,20)/t11-,12-/m0/s1
InChIKeySBRNWVNVCWXITM-RYUDHWBXSA-N
MW336.44 g/mol
LogP1.56
Rot. Bonds6

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

2-[[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine (PubChem CID 128993746) has the molecular formula C15H21FN6S and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine
PubChem CID128993746
Molecular FormulaC15H21FN6S
Molecular Weight336.44 g/mol
Exact Mass336.15
IUPAC Name2-[[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine
SMILESCN(Cc1nccc(N)n1)C[C@@H]1C[C@H](F)CN1Cc1nccs1
InChIInChI=1S/C15H21FN6S/c1-21(9-14-18-3-2-13(17)20-14)8-12-6-11(16)7-22(12)10-15-19-4-5-23-15/h2-5,11-12H,6-10H2,1H3,(H2,17,18,20)/t11-,12-/m0/s1
InChIKeySBRNWVNVCWXITM-RYUDHWBXSA-N
XLogP1.56
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-{[6-(3-Aminopyrrolidin-1-yl)pyrimidin-4-yl]amino}-1,3-thiazole-5-carbonitrile
CID 21934707
2-Pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 47053717
6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 56778107
N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 71933043
N-methyl-6-[2-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 72043839
N-methyl-6-[2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 72044424
N-methyl-6-[2-[(1,3-thiazol-4-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 72144339
N-methyl-1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 72874851
2-(1,3-Thiazol-5-yl)pyrimidin-4-amine
CID 80477993
2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 71857717
N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine
CID 100651961
2-[4-[(2S)-2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole
CID 164634370

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine (CID 128993746) is 2-[[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine is CN(Cc1nccc(N)n1)C[C@@H]1C[C@H](F)CN1Cc1nccs1.
What is the InChIKey of 2-[[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine?
The InChIKey is SBRNWVNVCWXITM-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21FN6S/c1-21(9-14-18-3-2-13(17)20-14)8-12-6-11(16)7-22(12)10-15-19-4-5-23-15/h2-5,11-12H,6-10H2,1H3,(H2,17,18,20)/t11-,12-/m0/s1.
What are the key properties of 2-[[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine?
2-[[[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 1.56, 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-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]methyl-methylamino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 128993746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).