2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol

C16H20BrN3O — CID 105058671

IUPAC2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
SMILESCCCc1nc(Br)cc(NC(C)(CO)c2ccccc2)n1
InChIInChI=1S/C16H20BrN3O/c1-3-7-14-18-13(17)10-15(19-14)20-16(2,11-21)12-8-5-4-6-9-12/h4-6,8-10,21H,3,7,11H2,1-2H3,(H,18,19,20)
InChIKeyBYWHJUNTGIAKSS-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.51
Rot. Bonds6

About 2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol

2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol (PubChem CID 105058671) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
PubChem CID105058671
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
SMILESCCCc1nc(Br)cc(NC(C)(CO)c2ccccc2)n1
InChIInChI=1S/C16H20BrN3O/c1-3-7-14-18-13(17)10-15(19-14)20-16(2,11-21)12-8-5-4-6-9-12/h4-6,8-10,21H,3,7,11H2,1-2H3,(H,18,19,20)
InChIKeyBYWHJUNTGIAKSS-UHFFFAOYSA-N
XLogP3.51
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-2-methylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060904
3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352656
2-[(6-ethoxy-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058536
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80954643
2-[(5-tert-butyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 107874941
2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058658
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-phenylpropan-1-ol
CID 105058433
3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106178721
2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136803028
6-bromo-N-[(2-nitrophenyl)methyl]-2-propylpyrimidin-4-amine
CID 106194622
2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 106973096
2-[(6-bromo-2-pyridinyl)methylamino]-2-phenylpropan-1-ol
CID 105057817

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol (CID 105058671) is 2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol is CCCc1nc(Br)cc(NC(C)(CO)c2ccccc2)n1.
What is the InChIKey of 2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The InChIKey is BYWHJUNTGIAKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-7-14-18-13(17)10-15(19-14)20-16(2,11-21)12-8-5-4-6-9-12/h4-6,8-10,21H,3,7,11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol has a molecular weight of 350.26 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 105058671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).