2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol

C13H24N4O — CID 80954643

IUPAC2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCCCc1nc(NCC)cc(NC(C)(C)CO)n1
InChIInChI=1S/C13H24N4O/c1-5-7-10-15-11(14-6-2)8-12(16-10)17-13(3,4)9-18/h8,18H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyGZWUMHJWWMJAEI-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.04
Rot. Bonds7

About 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol

2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol (PubChem CID 80954643) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
PubChem CID80954643
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCCCc1nc(NCC)cc(NC(C)(C)CO)n1
InChIInChI=1S/C13H24N4O/c1-5-7-10-15-11(14-6-2)8-12(16-10)17-13(3,4)9-18/h8,18H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyGZWUMHJWWMJAEI-UHFFFAOYSA-N
XLogP2.04
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80946507
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950028
2-methyl-2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780616
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
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80955338
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366433
2-[3-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propoxy]ethanol
CID 106311467
6-N-ethyl-4-N-(2-methyl-2-methylsulfonylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80943193
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940430
2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80955169
N-ethyl-6-methylsulfanyl-2-propylpyrimidin-4-amine
CID 80947430

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol (CID 80954643) is 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol is CCCc1nc(NCC)cc(NC(C)(C)CO)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The InChIKey is GZWUMHJWWMJAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-10-15-11(14-6-2)8-12(16-10)17-13(3,4)9-18/h8,18H,5-7,9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol?
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 80954643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).