[(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C15H20N4O2 — CID 98767127

IUPAC[(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCN(Cc1ccoc1)c1cc(N2CCC[C@H]2CO)ncn1
InChIInChI=1S/C15H20N4O2/c1-18(8-12-4-6-21-10-12)14-7-15(17-11-16-14)19-5-2-3-13(19)9-20/h4,6-7,10-11,13,20H,2-3,5,8-9H2,1H3/t13-/m0/s1
InChIKeyBJIGKTLAWCAWKJ-ZDUSSCGKSA-N
MW288.35 g/mol
LogP1.67
Rot. Bonds5

About [(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 98767127) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID98767127
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCN(Cc1ccoc1)c1cc(N2CCC[C@H]2CO)ncn1
InChIInChI=1S/C15H20N4O2/c1-18(8-12-4-6-21-10-12)14-7-15(17-11-16-14)19-5-2-3-13(19)9-20/h4,6-7,10-11,13,20H,2-3,5,8-9H2,1H3/t13-/m0/s1
InChIKeyBJIGKTLAWCAWKJ-ZDUSSCGKSA-N
XLogP1.67
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 86933300
[1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 115265310
[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133432045
2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 98767103
[(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764108
2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]propanoic acid
CID 122048649
3-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064774
2-[1-[6-[methyl(propyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]ethanol
CID 115265322
6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine
CID 115265366
[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763994
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 98767127) is [(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CN(Cc1ccoc1)c1cc(N2CCC[C@H]2CO)ncn1.
What is the InChIKey of [(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is BJIGKTLAWCAWKJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18(8-12-4-6-21-10-12)14-7-15(17-11-16-14)19-5-2-3-13(19)9-20/h4,6-7,10-11,13,20H,2-3,5,8-9H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 288.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 98767127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).