2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol

C12H22N4O2 — CID 80950028

IUPAC2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
SMILESCCCc1nc(NCC)cc(NC(CO)CO)n1
InChIInChI=1S/C12H22N4O2/c1-3-5-10-15-11(13-4-2)6-12(16-10)14-9(7-17)8-18/h6,9,17-18H,3-5,7-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyQNFITDXNLKDXGW-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.63
Rot. Bonds8

About 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol

2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol (PubChem CID 80950028) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
PubChem CID80950028
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
SMILESCCCc1nc(NCC)cc(NC(CO)CO)n1
InChIInChI=1S/C12H22N4O2/c1-3-5-10-15-11(13-4-2)6-12(16-10)14-9(7-17)8-18/h6,9,17-18H,3-5,7-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyQNFITDXNLKDXGW-UHFFFAOYSA-N
XLogP0.63
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950100
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 80947147
4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylpropanamide
CID 80954522
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80954643
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80955338
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propane-1,3-diol
CID 80937394
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198670
3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80950175
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80945317
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159692

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol?
The IUPAC name of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol (CID 80950028) is 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol is CCCc1nc(NCC)cc(NC(CO)CO)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol?
The InChIKey is QNFITDXNLKDXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-5-10-15-11(13-4-2)6-12(16-10)14-9(7-17)8-18/h6,9,17-18H,3-5,7-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol?
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol has a molecular weight of 254.33 g/mol, XLogP of 0.63, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol is sourced from PubChem (CID 80950028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).