4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine

C15H19BrN4 — CID 80949589

IUPAC4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(Nc2c(C)cc(Br)cc2C)n1
InChIInChI=1S/C15H19BrN4/c1-4-5-13-18-12(17)8-14(19-13)20-15-9(2)6-11(16)7-10(15)3/h6-8H,4-5H2,1-3H3,(H3,17,18,19,20)
InChIKeyMTBJYUSTGBOOAM-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.13
Rot. Bonds4

About 4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine

4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80949589) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80949589
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(Nc2c(C)cc(Br)cc2C)n1
InChIInChI=1S/C15H19BrN4/c1-4-5-13-18-12(17)8-14(19-13)20-15-9(2)6-11(16)7-10(15)3/h6-8H,4-5H2,1-3H3,(H3,17,18,19,20)
InChIKeyMTBJYUSTGBOOAM-UHFFFAOYSA-N
XLogP4.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine
CID 107794868
2-propylpyrimidine-4,6-diamine
CID 67304918
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616
2-propyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954909
4-N-[(4-methylthiophen-3-yl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80950406
4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954632
4-N-(4-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80946490
4-N-(4-bromo-3-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 82861835
2-propyl-4-N-(2,3,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954841
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine (CID 80949589) is 4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(Nc2c(C)cc(Br)cc2C)n1.
What is the InChIKey of 4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is MTBJYUSTGBOOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-4-5-13-18-12(17)8-14(19-13)20-15-9(2)6-11(16)7-10(15)3/h6-8H,4-5H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine?
4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 335.25 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2,6-dimethylphenyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80949589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).