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

C10H18N4O3 — CID 107855731

IUPAC2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCNc1nccc(NC(CO)(CO)CO)n1
InChIInChI=1S/C10H18N4O3/c1-2-11-9-12-4-3-8(13-9)14-10(5-15,6-16)7-17/h3-4,15-17H,2,5-7H2,1H3,(H2,11,12,13,14)
InChIKeyJTBGYCOARWZJRK-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.96
Rot. Bonds7

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

2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107855731) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107855731
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCNc1nccc(NC(CO)(CO)CO)n1
InChIInChI=1S/C10H18N4O3/c1-2-11-9-12-4-3-8(13-9)14-10(5-15,6-16)7-17/h3-4,15-17H,2,5-7H2,1H3,(H2,11,12,13,14)
InChIKeyJTBGYCOARWZJRK-UHFFFAOYSA-N
XLogP-0.96
TPSA110.53 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107855731) is 2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol is CCNc1nccc(NC(CO)(CO)CO)n1.
What is the InChIKey of 2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is JTBGYCOARWZJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-2-11-9-12-4-3-8(13-9)14-10(5-15,6-16)7-17/h3-4,15-17H,2,5-7H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 242.28 g/mol, XLogP of -0.96, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107855731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).