4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H19BrN4 — CID 80956053

IUPAC4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccc(Br)cc2)nc(C(C)C)n1
InChIInChI=1S/C15H19BrN4/c1-10(2)15-19-13(17-3)8-14(20-15)18-9-11-4-6-12(16)7-5-11/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeySJKARGSGVVMRJC-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.02
Rot. Bonds5

About 4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80956053) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80956053
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(NCc2ccc(Br)cc2)nc(C(C)C)n1
InChIInChI=1S/C15H19BrN4/c1-10(2)15-19-13(17-3)8-14(20-15)18-9-11-4-6-12(16)7-5-11/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20)
InChIKeySJKARGSGVVMRJC-UHFFFAOYSA-N
XLogP4.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-ethylphenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106900939
4-N-[(3,4-difluorophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961685
6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960320
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957808
6-N-methyl-2-methylsulfanyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine
CID 80793102
6-N-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957538
6-N-methyl-4-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960012
4-N-[(3-ethyl-2-pyridinyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 82751429
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325047
N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine
CID 62475587
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 115991895

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80956053) is 4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1cc(NCc2ccc(Br)cc2)nc(C(C)C)n1.
What is the InChIKey of 4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is SJKARGSGVVMRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-10(2)15-19-13(17-3)8-14(20-15)18-9-11-4-6-12(16)7-5-11/h4-8,10H,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80956053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).