[(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C16H22N4OS — CID 95763960

IUPAC[(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCCc1ccc(CNc2cc(N3CCC[C@@H]3CO)ncn2)s1
InChIInChI=1S/C16H22N4OS/c1-2-13-5-6-14(22-13)9-17-15-8-16(19-11-18-15)20-7-3-4-12(20)10-21/h5-6,8,11-12,21H,2-4,7,9-10H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyRGFOZUYQDGSXCR-GFCCVEGCSA-N
MW318.45 g/mol
LogP2.67
Rot. Bonds6

About [(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 95763960) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is [(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID95763960
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name[(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCCc1ccc(CNc2cc(N3CCC[C@@H]3CO)ncn2)s1
InChIInChI=1S/C16H22N4OS/c1-2-13-5-6-14(22-13)9-17-15-8-16(19-11-18-15)20-7-3-4-12(20)10-21/h5-6,8,11-12,21H,2-4,7,9-10H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyRGFOZUYQDGSXCR-GFCCVEGCSA-N
XLogP2.67
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[(2S)-1-[6-[(5-methylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763977
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[(2S)-1-[6-[(2-methoxy-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763890
[(2S)-1-[6-[(6-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763878
[(2R)-1-[6-[2-(4-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763864
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
[(2R)-1-[6-[(2-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763906
[(2R)-1-[6-[[(1S,2R)-2-methylcyclopropyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764095
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133297325
[(2S)-1-[6-[(2-propoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764019
[1-[6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133331301
[1-[6-[2-(2,4-dimethylphenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299034

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 95763960) is [(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CCc1ccc(CNc2cc(N3CCC[C@@H]3CO)ncn2)s1.
What is the InChIKey of [(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is RGFOZUYQDGSXCR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-2-13-5-6-14(22-13)9-17-15-8-16(19-11-18-15)20-7-3-4-12(20)10-21/h5-6,8,11-12,21H,2-4,7,9-10H2,1H3,(H,17,18,19)/t12-/m1/s1.
What are the key properties of [(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 318.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95763960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).