(2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol

C13H22N4O2 — CID 133434749

IUPAC(2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1cc(N2CCCC2CO)ncn1
InChIInChI=1S/C13H22N4O2/c1-2-10(7-18)16-12-6-13(15-9-14-12)17-5-3-4-11(17)8-19/h6,9-11,18-19H,2-5,7-8H2,1H3,(H,14,15,16)/t10-,11?/m1/s1
InChIKeyTYYRMNJVMGXMMJ-NFJWQWPMSA-N
MW266.34 g/mol
LogP0.62
Rot. Bonds6

About (2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol

(2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 133434749) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol
PubChem CID133434749
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1cc(N2CCCC2CO)ncn1
InChIInChI=1S/C13H22N4O2/c1-2-10(7-18)16-12-6-13(15-9-14-12)17-5-3-4-11(17)8-19/h6,9-11,18-19H,2-5,7-8H2,1H3,(H,14,15,16)/t10-,11?/m1/s1
InChIKeyTYYRMNJVMGXMMJ-NFJWQWPMSA-N
XLogP0.62
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
(2S)-2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 122049394
[(2R)-1-[6-[[(1S,2R)-2-methylcyclopropyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764095
[(2R)-1-[6-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763839
[(2S)-1-[6-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 98767134
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728
4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
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[1-[6-[1-(3-chloro-4-fluorophenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133298672
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380
[(2R)-1-[6-[(5-ethylthiophen-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763960
[(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95758167
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol (CID 133434749) is (2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol is CC[C@H](CO)Nc1cc(N2CCCC2CO)ncn1.
What is the InChIKey of (2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is TYYRMNJVMGXMMJ-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-10(7-18)16-12-6-13(15-9-14-12)17-5-3-4-11(17)8-19/h6,9-11,18-19H,2-5,7-8H2,1H3,(H,14,15,16)/t10-,11?/m1/s1.
What are the key properties of (2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol?
(2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 133434749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).