2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol

C14H17BrN4O — CID 105060887

IUPAC2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol
SMILESCNc1ncc(Br)c(NC(C)(CO)c2ccccc2)n1
InChIInChI=1S/C14H17BrN4O/c1-14(9-20,10-6-4-3-5-7-10)19-12-11(15)8-17-13(16-2)18-12/h3-8,20H,9H2,1-2H3,(H2,16,17,18,19)
InChIKeySNBYGIGOBLXHNP-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.60
Rot. Bonds5

About 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol

2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol (PubChem CID 105060887) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol
PubChem CID105060887
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol
SMILESCNc1ncc(Br)c(NC(C)(CO)c2ccccc2)n1
InChIInChI=1S/C14H17BrN4O/c1-14(9-20,10-6-4-3-5-7-10)19-12-11(15)8-17-13(16-2)18-12/h3-8,20H,9H2,1-2H3,(H2,16,17,18,19)
InChIKeySNBYGIGOBLXHNP-UHFFFAOYSA-N
XLogP2.60
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060917
2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 106875996
5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine
CID 114264170
2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol
CID 105058581
5-bromo-4-N-(3-ethylpentan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80840430
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80766138
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771885
[1-[[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexyl]methanol
CID 103968689
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009560
2-[(5-tert-butyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 107874941
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-[(5-bromo-3-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058658

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol (CID 105060887) is 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol is CNc1ncc(Br)c(NC(C)(CO)c2ccccc2)n1.
What is the InChIKey of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol?
The InChIKey is SNBYGIGOBLXHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-14(9-20,10-6-4-3-5-7-10)19-12-11(15)8-17-13(16-2)18-12/h3-8,20H,9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol?
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol has a molecular weight of 337.22 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 105060887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).