2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol

C10H17BrN4O3 — CID 114009560

IUPAC2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCNc1ncc(Br)c(NC(CO)(CO)CO)n1
InChIInChI=1S/C10H17BrN4O3/c1-2-12-9-13-3-7(11)8(14-9)15-10(4-16,5-17)6-18/h3,16-18H,2,4-6H2,1H3,(H2,12,13,14,15)
InChIKeyDSALHSSDQJALDV-UHFFFAOYSA-N
MW321.18 g/mol
LogP-0.20
Rot. Bonds7

About 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol

2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 114009560) has the molecular formula C10H17BrN4O3 and a molecular weight of 321.18 g/mol. Its IUPAC name is 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID114009560
Molecular FormulaC10H17BrN4O3
Molecular Weight321.18 g/mol
Exact Mass320.05
IUPAC Name2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCNc1ncc(Br)c(NC(CO)(CO)CO)n1
InChIInChI=1S/C10H17BrN4O3/c1-2-12-9-13-3-7(11)8(14-9)15-10(4-16,5-17)6-18/h3,16-18H,2,4-6H2,1H3,(H2,12,13,14,15)
InChIKeyDSALHSSDQJALDV-UHFFFAOYSA-N
XLogP-0.20
TPSA110.53 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-2-N-ethyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-2,4-diamine
CID 80811705
2-ethyl-2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propane-1,3-diol
CID 114011060
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779857
5-bromo-4-N-(2-cyclopentylethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80790917
5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80776985
5-bromo-4-N-(3-ethylpentan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80840430
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777337
2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855731
5-bromo-2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 114169916
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-5-fluoropyrimidine-2,4-diamine
CID 80840287

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol (CID 114009560) is 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol is CCNc1ncc(Br)c(NC(CO)(CO)CO)n1.
What is the InChIKey of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is DSALHSSDQJALDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O3/c1-2-12-9-13-3-7(11)8(14-9)15-10(4-16,5-17)6-18/h3,16-18H,2,4-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 321.18 g/mol, XLogP of -0.20, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 114009560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).