3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol

C12H21N3O2 — CID 80989324

IUPAC3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
SMILESCc1c(N)nc(C(C)(C)C)nc1OCCCO
InChIInChI=1S/C12H21N3O2/c1-8-9(13)14-11(12(2,3)4)15-10(8)17-7-5-6-16/h16H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyGIBCPYCAZQIOIB-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.43
Rot. Bonds4

About 3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol

3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol (PubChem CID 80989324) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
PubChem CID80989324
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
SMILESCc1c(N)nc(C(C)(C)C)nc1OCCCO
InChIInChI=1S/C12H21N3O2/c1-8-9(13)14-11(12(2,3)4)15-10(8)17-7-5-6-16/h16H,5-7H2,1-4H3,(H2,13,14,15)
InChIKeyGIBCPYCAZQIOIB-UHFFFAOYSA-N
XLogP1.43
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-5-methyl-6-(4-methylpentoxy)pyrimidin-4-amine
CID 80988672
2-tert-butyl-6-[2-(3-methoxypropoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 103176459
3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80988848
2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine
CID 80989840
2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine
CID 80988122
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981481
2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine
CID 81341700
2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80989402
2-tert-butyl-N-ethyl-6-(3-methoxypropoxy)-5-methylpyrimidin-4-amine
CID 80987964
2-(6-amino-5-methyl-2-propylpyrimidin-4-yl)oxyethanol
CID 80989436
2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80989349
3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80966433

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol?
The IUPAC name of 3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol (CID 80989324) is 3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol?
The canonical SMILES for 3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol is Cc1c(N)nc(C(C)(C)C)nc1OCCCO.
What is the InChIKey of 3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol?
The InChIKey is GIBCPYCAZQIOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-9(13)14-11(12(2,3)4)15-10(8)17-7-5-6-16/h16H,5-7H2,1-4H3,(H2,13,14,15).
What are the key properties of 3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol?
3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol is sourced from PubChem (CID 80989324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).