2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine

C16H20BrN3 — CID 63485945

IUPAC2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C16H20BrN3/c1-16(2,3)13-10-14(18-4)20-15(19-13)9-11-5-7-12(17)8-6-11/h5-8,10H,9H2,1-4H3,(H,18,19,20)
InChIKeyYQXORBJWVNMQNQ-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.17
Rot. Bonds3

About 2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine

2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine (PubChem CID 63485945) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine
PubChem CID63485945
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C16H20BrN3/c1-16(2,3)13-10-14(18-4)20-15(19-13)9-11-5-7-12(17)8-6-11/h5-8,10H,9H2,1-4H3,(H,18,19,20)
InChIKeyYQXORBJWVNMQNQ-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine (CID 63485945) is 2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(Cc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine?
The InChIKey is YQXORBJWVNMQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-16(2,3)13-10-14(18-4)20-15(19-13)9-11-5-7-12(17)8-6-11/h5-8,10H,9H2,1-4H3,(H,18,19,20).
What are the key properties of 2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine?
2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-6-tert-butyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63485945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).