1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol

C13H22N4O2 — CID 106670519

IUPAC1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol
SMILESCC(C)CNCc1cnc(N2CC(O)C(O)C2)nc1
InChIInChI=1S/C13H22N4O2/c1-9(2)3-14-4-10-5-15-13(16-6-10)17-7-11(18)12(19)8-17/h5-6,9,11-12,14,18-19H,3-4,7-8H2,1-2H3
InChIKeyJYCBPPATFIVWGK-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.24
Rot. Bonds5

About 1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol

1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol (PubChem CID 106670519) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol
PubChem CID106670519
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol
SMILESCC(C)CNCc1cnc(N2CC(O)C(O)C2)nc1
InChIInChI=1S/C13H22N4O2/c1-9(2)3-14-4-10-5-15-13(16-6-10)17-7-11(18)12(19)8-17/h5-6,9,11-12,14,18-19H,3-4,7-8H2,1-2H3
InChIKeyJYCBPPATFIVWGK-UHFFFAOYSA-N
XLogP-0.24
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 113388089
3-methyl-N-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]butan-1-amine
CID 102536485
2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 113388292
1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 80630040
2-methyl-N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 66371207
1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol
CID 106967389
2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 80637065
(1S)-1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 95582612
1-[4-[[(2-pyrrolidin-1-ylpyrimidin-5-yl)methylamino]methyl]phenyl]ethanol
CID 47626361
2-methyl-N-[[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65197740
1-[1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 106836671
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 60777709

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol (CID 106670519) is 1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol is CC(C)CNCc1cnc(N2CC(O)C(O)C2)nc1.
What is the InChIKey of 1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol?
The InChIKey is JYCBPPATFIVWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)3-14-4-10-5-15-13(16-6-10)17-7-11(18)12(19)8-17/h5-6,9,11-12,14,18-19H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol?
1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol has a molecular weight of 266.34 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methylpropylamino)methyl]pyrimidin-2-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106670519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).