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

C12H22N4O — CID 80967240

IUPAC1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1cc(NCC(C)O)nc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-8(17)7-14-10-6-9(13-5)15-11(16-10)12(2,3)4/h6,8,17H,7H2,1-5H3,(H2,13,14,15,16)
InChIKeyIOZVBDFXWNVFIX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds4

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

1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 80967240) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID80967240
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1cc(NCC(C)O)nc(C(C)(C)C)n1
InChIInChI=1S/C12H22N4O/c1-8(17)7-14-10-6-9(13-5)15-11(16-10)12(2,3)4/h6,8,17H,7H2,1-5H3,(H2,13,14,15,16)
InChIKeyIOZVBDFXWNVFIX-UHFFFAOYSA-N
XLogP1.61
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-3-ethylpentan-2-ol
CID 106288889
1-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80933620
1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967408
3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,2-diol
CID 106772397
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 106436326
1-[[6-(methylamino)-2-pyridinyl]amino]propan-2-ol
CID 80780222
2-tert-butyl-4-N-(3,3-dimethylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 104830549
2-tert-butyl-6-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80956274
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80967917
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80958459
N-[2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 80967857
2-tert-butyl-6-N-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042309

Frequently Asked Questions

What is the IUPAC name of 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (CID 80967240) is 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is CNc1cc(NCC(C)O)nc(C(C)(C)C)n1.
What is the InChIKey of 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is IOZVBDFXWNVFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(17)7-14-10-6-9(13-5)15-11(16-10)12(2,3)4/h6,8,17H,7H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 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]amino]propan-2-ol is sourced from PubChem (CID 80967240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).