2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol

C13H23N3O3 — CID 107866270

IUPAC2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol
SMILESCCCOc1cc(C)nc(NC(CC)(CO)CO)n1
InChIInChI=1S/C13H23N3O3/c1-4-6-19-11-7-10(3)14-12(15-11)16-13(5-2,8-17)9-18/h7,17-18H,4-6,8-9H2,1-3H3,(H,14,15,16)
InChIKeyZSUDVUBZFOPSNV-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.12
Rot. Bonds8

About 2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol

2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol (PubChem CID 107866270) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol
PubChem CID107866270
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol
SMILESCCCOc1cc(C)nc(NC(CC)(CO)CO)n1
InChIInChI=1S/C13H23N3O3/c1-4-6-19-11-7-10(3)14-12(15-11)16-13(5-2,8-17)9-18/h7,17-18H,4-6,8-9H2,1-3H3,(H,14,15,16)
InChIKeyZSUDVUBZFOPSNV-UHFFFAOYSA-N
XLogP1.12
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol
CID 106177820
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 115973000
2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107851350
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
N-(3-chloro-2,2-dimethylpropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112635787
2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine
CID 112634927
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
CID 112637443
2-[3-(hydroxymethyl)pentan-3-ylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552017
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol (CID 107866270) is 2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol is CCCOc1cc(C)nc(NC(CC)(CO)CO)n1.
What is the InChIKey of 2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol?
The InChIKey is ZSUDVUBZFOPSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-6-19-11-7-10(3)14-12(15-11)16-13(5-2,8-17)9-18/h7,17-18H,4-6,8-9H2,1-3H3,(H,14,15,16).
What are the key properties of 2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol?
2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol has a molecular weight of 269.34 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol is sourced from PubChem (CID 107866270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).