4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine

C16H21BrN4 — CID 80961112

IUPAC4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cccc(Br)c2)nc(C(C)C)n1
InChIInChI=1S/C16H21BrN4/c1-4-18-14-9-15(21-16(20-14)11(2)3)19-10-12-6-5-7-13(17)8-12/h5-9,11H,4,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyDZUXFEIXTMZKJP-UHFFFAOYSA-N
MW349.28 g/mol
LogP4.41
Rot. Bonds6

About 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80961112) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80961112
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2cccc(Br)c2)nc(C(C)C)n1
InChIInChI=1S/C16H21BrN4/c1-4-18-14-9-15(21-16(20-14)11(2)3)19-10-12-6-5-7-13(17)8-12/h5-9,11H,4,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyDZUXFEIXTMZKJP-UHFFFAOYSA-N
XLogP4.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941793
6-N-ethyl-4-N-[(4-methylphenyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960320
6-bromo-N-[(3-bromophenyl)methyl]pyridin-2-amine
CID 63961950
4-N-[(4-bromophenyl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956053
4-N-(2,4-dibromophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960399
6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 115503957
4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955572
4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958702
6-bromo-N-[(3-nitrophenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 106194828
N-[(3-fluorophenyl)methyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 43428292
N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80963952
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80961112) is 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(NCc2cccc(Br)c2)nc(C(C)C)n1.
What is the InChIKey of 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is DZUXFEIXTMZKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-4-18-14-9-15(21-16(20-14)11(2)3)19-10-12-6-5-7-13(17)8-12/h5-9,11H,4,10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 349.28 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80961112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).