2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol

C10H16ClN3O2 — CID 107866488

IUPAC2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1cc(C)nc(Cl)n1
InChIInChI=1S/C10H16ClN3O2/c1-3-10(5-15,6-16)14-8-4-7(2)12-9(11)13-8/h4,15-16H,3,5-6H2,1-2H3,(H,12,13,14)
InChIKeyOMADCNSHYBCKAJ-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.98
Rot. Bonds5

About 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol

2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107866488) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
PubChem CID107866488
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1cc(C)nc(Cl)n1
InChIInChI=1S/C10H16ClN3O2/c1-3-10(5-15,6-16)14-8-4-7(2)12-9(11)13-8/h4,15-16H,3,5-6H2,1-2H3,(H,12,13,14)
InChIKeyOMADCNSHYBCKAJ-UHFFFAOYSA-N
XLogP0.98
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol (CID 107866488) is 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1cc(C)nc(Cl)n1.
What is the InChIKey of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is OMADCNSHYBCKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-3-10(5-15,6-16)14-8-4-7(2)12-9(11)13-8/h4,15-16H,3,5-6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol?
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 245.71 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107866488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).