1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol

C12H22N4O — CID 80779051

IUPAC1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
SMILESCCNc1ncnc(NCC(C)O)c1C(C)C
InChIInChI=1S/C12H22N4O/c1-5-13-11-10(8(2)3)12(16-7-15-11)14-6-9(4)17/h7-9,17H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyBDCUUIAAJXTXPB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.82
Rot. Bonds6

About 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol

1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol (PubChem CID 80779051) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
PubChem CID80779051
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
SMILESCCNc1ncnc(NCC(C)O)c1C(C)C
InChIInChI=1S/C12H22N4O/c1-5-13-11-10(8(2)3)12(16-7-15-11)14-6-9(4)17/h7-9,17H,5-6H2,1-4H3,(H2,13,14,15,16)
InChIKeyBDCUUIAAJXTXPB-UHFFFAOYSA-N
XLogP1.82
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159522
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777504
3-ethyl-1-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]pentan-2-ol
CID 106288894
6-N-ethyl-5-propan-2-yl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80791096
methyl 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80801917
1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
CID 80906559
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347461
2-methyl-3-[[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80840418
3-[2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118658

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol (CID 80779051) is 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol is CCNc1ncnc(NCC(C)O)c1C(C)C.
What is the InChIKey of 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is BDCUUIAAJXTXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-13-11-10(8(2)3)12(16-7-15-11)14-6-9(4)17/h7-9,17H,5-6H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol?
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 80779051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).