3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

C14H24BrN3O — CID 106352656

IUPAC3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCCc1nc(Br)cc(NC(CCO)C(C)(C)C)n1
InChIInChI=1S/C14H24BrN3O/c1-5-6-12-17-11(15)9-13(18-12)16-10(7-8-19)14(2,3)4/h9-10,19H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyAXKJMLVMOBTXRP-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.40
Rot. Bonds6

About 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol

3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 106352656) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
PubChem CID106352656
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
SMILESCCCc1nc(Br)cc(NC(CCO)C(C)(C)C)n1
InChIInChI=1S/C14H24BrN3O/c1-5-6-12-17-11(15)9-13(18-12)16-10(7-8-19)14(2,3)4/h9-10,19H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyAXKJMLVMOBTXRP-UHFFFAOYSA-N
XLogP3.40
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114177404
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358372
4,4-dimethyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 103764890
3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178721
3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358242
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 114178348
3-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-1-ol
CID 83180465
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350851
2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105058671
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]propane-1,3-diol
CID 80950028
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106358269
4-[1-[(6-bromo-2-propylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 106192818

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol (CID 106352656) is 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is CCCc1nc(Br)cc(NC(CCO)C(C)(C)C)n1.
What is the InChIKey of 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is AXKJMLVMOBTXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-5-6-12-17-11(15)9-13(18-12)16-10(7-8-19)14(2,3)4/h9-10,19H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol?
3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 330.27 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106352656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).