4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol

C14H26N4O — CID 80958459

IUPAC4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCNc1cc(NCCC(C)O)nc(C(C)(C)C)n1
InChIInChI=1S/C14H26N4O/c1-6-15-11-9-12(16-8-7-10(2)19)18-13(17-11)14(3,4)5/h9-10,19H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyDVOPAFVAJMPGIO-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.39
Rot. Bonds6

About 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol

4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol (PubChem CID 80958459) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
PubChem CID80958459
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCNc1cc(NCCC(C)O)nc(C(C)(C)C)n1
InChIInChI=1S/C14H26N4O/c1-6-15-11-9-12(16-8-7-10(2)19)18-13(17-11)14(3,4)5/h9-10,19H,6-8H2,1-5H3,(H2,15,16,17,18)
InChIKeyDVOPAFVAJMPGIO-UHFFFAOYSA-N
XLogP2.39
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol with MolForge

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Related Compounds

4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol
CID 80968241
1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80967735
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248639
3-[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80964135
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149856
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557046

Frequently Asked Questions

What is the IUPAC name of 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol (CID 80958459) is 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol is CCNc1cc(NCCC(C)O)nc(C(C)(C)C)n1.
What is the InChIKey of 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is DVOPAFVAJMPGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-15-11-9-12(16-8-7-10(2)19)18-13(17-11)14(3,4)5/h9-10,19H,6-8H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol?
4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 80958459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).