2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

C11H18ClN3O3 — CID 107854317

IUPAC2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCc1nc(Cl)c(C)c(NC(CO)(CO)CO)n1
InChIInChI=1S/C11H18ClN3O3/c1-3-8-13-9(12)7(2)10(14-8)15-11(4-16,5-17)6-18/h16-18H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyLBBZHDXVUWUBRE-UHFFFAOYSA-N
MW275.74 g/mol
LogP0.13
Rot. Bonds6

About 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107854317) has the molecular formula C11H18ClN3O3 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107854317
Molecular FormulaC11H18ClN3O3
Molecular Weight275.74 g/mol
Exact Mass275.10
IUPAC Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCc1nc(Cl)c(C)c(NC(CO)(CO)CO)n1
InChIInChI=1S/C11H18ClN3O3/c1-3-8-13-9(12)7(2)10(14-8)15-11(4-16,5-17)6-18/h16-18H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyLBBZHDXVUWUBRE-UHFFFAOYSA-N
XLogP0.13
TPSA98.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 80983064
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
[2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 80977885
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 79556195
6-N,2-diethyl-4-N-(3-ethylpentan-3-yl)-5-methylpyrimidine-4,6-diamine
CID 80991789
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114177389
6-chloro-2-ethyl-5-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80970511
3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 103823307
1-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80977973
6-chloro-2-ethyl-5-methyl-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972304
6-chloro-2-ethyl-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80970680
6-chloro-2-ethyl-N-(3-ethylpentan-2-yl)-5-methylpyrimidin-4-amine
CID 80971853

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107854317) is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is CCc1nc(Cl)c(C)c(NC(CO)(CO)CO)n1.
What is the InChIKey of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is LBBZHDXVUWUBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3/c1-3-8-13-9(12)7(2)10(14-8)15-11(4-16,5-17)6-18/h16-18H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 275.74 g/mol, XLogP of 0.13, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107854317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).