4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H18BrClN4 — CID 80958702

IUPAC4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(Br)ccc2Cl)nc(C(C)C)n1
InChIInChI=1S/C15H18BrClN4/c1-4-18-13-8-14(21-15(20-13)9(2)3)19-12-7-10(16)5-6-11(12)17/h5-9H,4H2,1-3H3,(H2,18,19,20,21)
InChIKeyKOMGXRWPAUKDIH-UHFFFAOYSA-N
MW369.69 g/mol
LogP5.19
Rot. Bonds5

About 4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80958702) has the molecular formula C15H18BrClN4 and a molecular weight of 369.69 g/mol. Its IUPAC name is 4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80958702
Molecular FormulaC15H18BrClN4
Molecular Weight369.69 g/mol
Exact Mass368.04
IUPAC Name4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2cc(Br)ccc2Cl)nc(C(C)C)n1
InChIInChI=1S/C15H18BrClN4/c1-4-18-13-8-14(21-15(20-13)9(2)3)19-12-7-10(16)5-6-11(12)17/h5-9H,4H2,1-3H3,(H2,18,19,20,21)
InChIKeyKOMGXRWPAUKDIH-UHFFFAOYSA-N
XLogP5.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.69
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,4-dibromophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960399
4-N-(4-bromo-2-fluorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955572
4-N-(2,6-dichlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959350
4-N-(4-bromo-2-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80939644
4-N-[(3-bromophenyl)methyl]-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961112
4-N-(2,5-dichlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933323
4-N-(4-bromo-3-methylphenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956183
6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957160
6-(4-bromophenoxy)-N-ethyl-2-propan-2-ylpyrimidin-4-amine
CID 80965984
5-N-(5-bromo-2-chlorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 113423990
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
4-bromo-2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 107801773

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80958702) is 4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(Nc2cc(Br)ccc2Cl)nc(C(C)C)n1.
What is the InChIKey of 4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is KOMGXRWPAUKDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN4/c1-4-18-13-8-14(21-15(20-13)9(2)3)19-12-7-10(16)5-6-11(12)17/h5-9H,4H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 369.69 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-chlorophenyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80958702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).