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

C11H17BrN4O2 — CID 106674599

IUPAC1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCCNc1ncc(Br)c(N2CC(O)C(O)C2)n1
InChIInChI=1S/C11H17BrN4O2/c1-2-3-13-11-14-4-7(12)10(15-11)16-5-8(17)9(18)6-16/h4,8-9,17-18H,2-3,5-6H2,1H3,(H,13,14,15)
InChIKeyJUCDRHFBXPIPIS-UHFFFAOYSA-N
MW317.19 g/mol
LogP0.60
Rot. Bonds4

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

1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol (PubChem CID 106674599) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
PubChem CID106674599
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
SMILESCCCNc1ncc(Br)c(N2CC(O)C(O)C2)n1
InChIInChI=1S/C11H17BrN4O2/c1-2-3-13-11-14-4-7(12)10(15-11)16-5-8(17)9(18)6-16/h4,8-9,17-18H,2-3,5-6H2,1H3,(H,13,14,15)
InChIKeyJUCDRHFBXPIPIS-UHFFFAOYSA-N
XLogP0.60
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-(3,5-dimethylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80767611
4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine
CID 80764338
5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80761980
5-bromo-N-propyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80810345
5-bromo-4-(3,3-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80855237
5-bromo-4-(4-methyl-1,4-diazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80766308
5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80766777
1-[5-bromo-2-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80830813
5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
1-[5-methyl-2-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80824081
5-bromo-4-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80856446
5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80780829

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol (CID 106674599) is 1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol is CCCNc1ncc(Br)c(N2CC(O)C(O)C2)n1.
What is the InChIKey of 1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
The InChIKey is JUCDRHFBXPIPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-2-3-13-11-14-4-7(12)10(15-11)16-5-8(17)9(18)6-16/h4,8-9,17-18H,2-3,5-6H2,1H3,(H,13,14,15).
What are the key properties of 1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol?
1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol has a molecular weight of 317.19 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106674599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).