[(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C19H26N4O2 — CID 95764108

IUPAC[(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ccccc1CCN(C)c1cc(N2CCC[C@@H]2CO)ncn1
InChIInChI=1S/C19H26N4O2/c1-22(11-9-15-6-3-4-8-17(15)25-2)18-12-19(21-14-20-18)23-10-5-7-16(23)13-24/h3-4,6,8,12,14,16,24H,5,7,9-11,13H2,1-2H3/t16-/m1/s1
InChIKeyGLADUIPFDQHPMN-MRXNPFEDSA-N
MW342.44 g/mol
LogP2.13
Rot. Bonds7

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

[(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 95764108) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID95764108
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ccccc1CCN(C)c1cc(N2CCC[C@@H]2CO)ncn1
InChIInChI=1S/C19H26N4O2/c1-22(11-9-15-6-3-4-8-17(15)25-2)18-12-19(21-14-20-18)23-10-5-7-16(23)13-24/h3-4,6,8,12,14,16,24H,5,7,9-11,13H2,1-2H3/t16-/m1/s1
InChIKeyGLADUIPFDQHPMN-MRXNPFEDSA-N
XLogP2.13
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 115265310
[1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 86933300
3-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064774
[(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 98767127
2-[1-[6-[methyl(propyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]ethanol
CID 115265322
2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 98767103
[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133432045
[(2S)-1-[6-[2-(2-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763829
4-imidazol-1-yl-6-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]pyrimidine
CID 75373069
2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]propanoic acid
CID 122048649
[(2R)-1-[6-[(2-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763906
[1-[6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133491863

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 95764108) is [(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is COc1ccccc1CCN(C)c1cc(N2CCC[C@@H]2CO)ncn1.
What is the InChIKey of [(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is GLADUIPFDQHPMN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(11-9-15-6-3-4-8-17(15)25-2)18-12-19(21-14-20-18)23-10-5-7-16(23)13-24/h3-4,6,8,12,14,16,24H,5,7,9-11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 342.44 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95764108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).