2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol

C13H24N4O2 — CID 107868640

IUPAC2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
SMILESCCCNc1ncc(C)c(NC(CC)(CO)CO)n1
InChIInChI=1S/C13H24N4O2/c1-4-6-14-12-15-7-10(3)11(16-12)17-13(5-2,8-18)9-19/h7,18-19H,4-6,8-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyRFQTUHQNGYMJPG-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.15
Rot. Bonds8

About 2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol

2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol (PubChem CID 107868640) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
PubChem CID107868640
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
SMILESCCCNc1ncc(C)c(NC(CC)(CO)CO)n1
InChIInChI=1S/C13H24N4O2/c1-4-6-14-12-15-7-10(3)11(16-12)17-13(5-2,8-18)9-19/h7,18-19H,4-6,8-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyRFQTUHQNGYMJPG-UHFFFAOYSA-N
XLogP1.15
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol with MolForge

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Related Compounds

5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841619
2-ethyl-2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]propane-1,3-diol
CID 114011060
1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 113493071
2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106280601
4-N-(2-ethoxy-2-methylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 114944668
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 102908907
4-methyl-1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159661
3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80847547
5-fluoro-4-N-(2-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80767954
5-methyl-2-N-propyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80848762

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol (CID 107868640) is 2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol is CCCNc1ncc(C)c(NC(CC)(CO)CO)n1.
What is the InChIKey of 2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol?
The InChIKey is RFQTUHQNGYMJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-6-14-12-15-7-10(3)11(16-12)17-13(5-2,8-18)9-19/h7,18-19H,4-6,8-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol?
2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol has a molecular weight of 268.36 g/mol, XLogP of 1.15, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol is sourced from PubChem (CID 107868640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).