1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol

C13H22N4O2 — CID 106674594

IUPAC1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCCNc1nc(C)nc(N2CC(O)C(O)C2)c1C
InChIInChI=1S/C13H22N4O2/c1-4-5-14-12-8(2)13(16-9(3)15-12)17-6-10(18)11(19)7-17/h10-11,18-19H,4-7H2,1-3H3,(H,14,15,16)
InChIKeySRPIMGPJVDXIMH-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.46
Rot. Bonds4

About 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol

1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol (PubChem CID 106674594) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
PubChem CID106674594
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCCNc1nc(C)nc(N2CC(O)C(O)C2)c1C
InChIInChI=1S/C13H22N4O2/c1-4-5-14-12-8(2)13(16-9(3)15-12)17-6-10(18)11(19)7-17/h10-11,18-19H,4-7H2,1-3H3,(H,14,15,16)
InChIKeySRPIMGPJVDXIMH-UHFFFAOYSA-N
XLogP0.46
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 80779109
2,5-dimethyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80767316
6-(3,3-dimethylpyrrolidin-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80854736
6-(4-ethylazepan-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80823095
1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]piperidin-4-ol
CID 80764591
[4-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-5-methylmorpholin-2-yl]methanol
CID 81216976
6-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80852866
2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
CID 80857923
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629574
1-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 80981249
2,5-dimethyl-6-(3-methylthiomorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80836387
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol (CID 106674594) is 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol is CCCNc1nc(C)nc(N2CC(O)C(O)C2)c1C.
What is the InChIKey of 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The InChIKey is SRPIMGPJVDXIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-5-14-12-8(2)13(16-9(3)15-12)17-6-10(18)11(19)7-17/h10-11,18-19H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol has a molecular weight of 266.34 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).