2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile

C15H16BrN5O — CID 169397375

IUPAC2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile
SMILESCC(C)COc1ccc(Br)cc1-c1nc(N)nc(N)c1C#N
InChIInChI=1S/C15H16BrN5O/c1-8(2)7-22-12-4-3-9(16)5-10(12)13-11(6-17)14(18)21-15(19)20-13/h3-5,8H,7H2,1-2H3,(H4,18,19,20,21)
InChIKeyWGMQRLATGRLVPF-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.98
Rot. Bonds4

About 2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile

2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile (PubChem CID 169397375) has the molecular formula C15H16BrN5O and a molecular weight of 362.23 g/mol. Its IUPAC name is 2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile
PubChem CID169397375
Molecular FormulaC15H16BrN5O
Molecular Weight362.23 g/mol
Exact Mass361.05
IUPAC Name2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile
SMILESCC(C)COc1ccc(Br)cc1-c1nc(N)nc(N)c1C#N
InChIInChI=1S/C15H16BrN5O/c1-8(2)7-22-12-4-3-9(16)5-10(12)13-11(6-17)14(18)21-15(19)20-13/h3-5,8H,7H2,1-2H3,(H4,18,19,20,21)
InChIKeyWGMQRLATGRLVPF-UHFFFAOYSA-N
XLogP2.98
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diamino-6-[5-bromo-2-(cyanomethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396785
2-[4-bromo-2-(2,6-diamino-5-cyanopyrimidin-4-yl)phenoxy]propanoic acid
CID 169397511
2,4-diamino-6-[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169397802
2,4-diamino-6-(4-bromo-2-methylphenyl)pyrimidine-5-carbonitrile
CID 169396212
N-benzyl-2-[4-bromo-2-(2,6-diamino-5-cyanopyrimidin-4-yl)phenoxy]acetamide
CID 169398120
2-amino-4-[5-bromo-2-(2-methylpropoxy)phenyl]-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852183
2,4-diamino-6-(3,5-dibromo-2-propoxyphenyl)pyrimidine-5-carbonitrile
CID 169398101
2,4-diamino-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-5-carbonitrile
CID 169397431
2,4-diamino-6-(5-bromo-3-iodo-2-propoxyphenyl)pyrimidine-5-carbonitrile
CID 169398106
2,4-diamino-6-(3,5-dibromophenyl)pyrimidine-5-carbonitrile
CID 169396136
2,4-diamino-6-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]pyrimidine-5-carbonitrile
CID 169397756
2,4-diamino-6-[5-chloro-2-[(3,5-difluorophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169396721

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile (CID 169397375) is 2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile is CC(C)COc1ccc(Br)cc1-c1nc(N)nc(N)c1C#N.
What is the InChIKey of 2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is WGMQRLATGRLVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O/c1-8(2)7-22-12-4-3-9(16)5-10(12)13-11(6-17)14(18)21-15(19)20-13/h3-5,8H,7H2,1-2H3,(H4,18,19,20,21).
What are the key properties of 2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile?
2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 362.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[5-bromo-2-(2-methylpropoxy)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 169397375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).