2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol

C14H26N4O — CID 80960142

IUPAC2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCCCNc1cc(NCC(C)(C)O)nc(C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-6-7-15-11-8-12(16-9-14(4,5)19)18-13(17-11)10(2)3/h8,10,19H,6-7,9H2,1-5H3,(H2,15,16,17,18)
InChIKeyALLIJMZXFZECBP-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.60
Rot. Bonds7

About 2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol

2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 80960142) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID80960142
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCCCNc1cc(NCC(C)(C)O)nc(C(C)C)n1
InChIInChI=1S/C14H26N4O/c1-6-7-15-11-8-12(16-9-14(4,5)19)18-13(17-11)10(2)3/h8,10,19H,6-7,9H2,1-5H3,(H2,15,16,17,18)
InChIKeyALLIJMZXFZECBP-UHFFFAOYSA-N
XLogP2.60
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

4-N-(2,2-dimethylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 103466665
2-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80955543
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-(2-methylsulfanylethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960222
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296295
methyl 2-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80956565
4-N-[4-(dimethylamino)butyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967029
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80960165
1-[(6-bromo-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol (CID 80960142) is 2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol is CCCNc1cc(NCC(C)(C)O)nc(C(C)C)n1.
What is the InChIKey of 2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is ALLIJMZXFZECBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-7-15-11-8-12(16-9-14(4,5)19)18-13(17-11)10(2)3/h8,10,19H,6-7,9H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol?
2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 80960142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).