1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol

C14H26N4O — CID 80958949

IUPAC1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
SMILESCNc1cc(N(C)CC(C)(C)O)nc(C(C)(C)C)n1
InChIInChI=1S/C14H26N4O/c1-13(2,3)12-16-10(15-6)8-11(17-12)18(7)9-14(4,5)19/h8,19H,9H2,1-7H3,(H,15,16,17)
InChIKeyXVLIRBPKKJSIRX-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.02
Rot. Bonds4

About 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol

1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol (PubChem CID 80958949) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
PubChem CID80958949
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
SMILESCNc1cc(N(C)CC(C)(C)O)nc(C(C)(C)C)n1
InChIInChI=1S/C14H26N4O/c1-13(2,3)12-16-10(15-6)8-11(17-12)18(7)9-14(4,5)19/h8,19H,9H2,1-7H3,(H,15,16,17)
InChIKeyXVLIRBPKKJSIRX-UHFFFAOYSA-N
XLogP2.02
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957496
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 106772441
2-tert-butyl-4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80957316
2-tert-butyl-4-N,6-N-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80960657
2-tert-butyl-4-N,6-N-dimethyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80960654
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80961185
2-tert-butyl-6-(2,2-dimethylhydrazinyl)-N-methylpyrimidin-4-amine
CID 83024839
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
CID 80961589
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80960291
2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961548
2-methyl-1-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80848388
2-tert-butyl-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80957345

Frequently Asked Questions

What is the IUPAC name of 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol (CID 80958949) is 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol is CNc1cc(N(C)CC(C)(C)O)nc(C(C)(C)C)n1.
What is the InChIKey of 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is XVLIRBPKKJSIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-13(2,3)12-16-10(15-6)8-11(17-12)18(7)9-14(4,5)19/h8,19H,9H2,1-7H3,(H,15,16,17).
What are the key properties of 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol?
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80958949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).