1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol

C13H22N4O2 — CID 103358871

IUPAC1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
SMILESCCCNc1ncnc(N2CCC(C)(O)C2)c1OC
InChIInChI=1S/C13H22N4O2/c1-4-6-14-11-10(19-3)12(16-9-15-11)17-7-5-13(2,18)8-17/h9,18H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyIUGYUUKPWMQDKS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.27
Rot. Bonds5

About 1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol

1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol (PubChem CID 103358871) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
PubChem CID103358871
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
SMILESCCCNc1ncnc(N2CCC(C)(O)C2)c1OC
InChIInChI=1S/C13H22N4O2/c1-4-6-14-11-10(19-3)12(16-9-15-11)17-7-5-13(2,18)8-17/h9,18H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyIUGYUUKPWMQDKS-UHFFFAOYSA-N
XLogP1.27
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,3-dimethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80855379
6-(3,3-dimethylpyrrolidin-1-yl)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80855091
6-(3,3-dimethylpiperidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80835703
N,3-dimethyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322286
3-methyl-1-(6-propylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103357775
3-[[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103334
3-methyl-1-[6-(propylamino)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-ol
CID 103358921
1-[2-cyclopropyl-5-methyl-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol
CID 103358914
1-[1-[6-(ethylamino)-5-methoxypyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839920
3-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
CID 103725139
3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180772
1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81108542

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol (CID 103358871) is 1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol is CCCNc1ncnc(N2CCC(C)(O)C2)c1OC.
What is the InChIKey of 1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
The InChIKey is IUGYUUKPWMQDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-6-14-11-10(19-3)12(16-9-15-11)17-7-5-13(2,18)8-17/h9,18H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol?
1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol has a molecular weight of 266.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-6-(propylamino)pyrimidin-4-yl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103358871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).