5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine

C14H16BrN3O — CID 114264125

IUPAC5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine
SMILESCOc1nc(NC(C)(C)c2ccccc2)ncc1Br
InChIInChI=1S/C14H16BrN3O/c1-14(2,10-7-5-4-6-8-10)18-13-16-9-11(15)12(17-13)19-3/h4-9H,1-3H3,(H,16,17,18)
InChIKeyFHJOXVOWRBDVDS-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.59
Rot. Bonds4

About 5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine

5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine (PubChem CID 114264125) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine
PubChem CID114264125
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine
SMILESCOc1nc(NC(C)(C)c2ccccc2)ncc1Br
InChIInChI=1S/C14H16BrN3O/c1-14(2,10-7-5-4-6-8-10)18-13-16-9-11(15)12(17-13)19-3/h4-9H,1-3H3,(H,16,17,18)
InChIKeyFHJOXVOWRBDVDS-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-hydrazinyl-N-(2-phenylpropan-2-yl)pyrimidin-4-amine
CID 114264170
5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
CID 103745919
5-bromo-N-(4-chloro-2-methylbutan-2-yl)-4-methoxypyrimidin-2-amine
CID 106999872
5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
CID 103726609
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
methyl 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2-phenylacetate
CID 106997695
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
CID 106999041
5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine
CID 107616386
5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998767
N-[3-(aminomethyl)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106999908

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine (CID 114264125) is 5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine is COc1nc(NC(C)(C)c2ccccc2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine?
The InChIKey is FHJOXVOWRBDVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-14(2,10-7-5-4-6-8-10)18-13-16-9-11(15)12(17-13)19-3/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine has a molecular weight of 322.21 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 114264125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).