4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine

C14H15BrF2N4 — CID 102855436

IUPAC4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C14H15BrF2N4/c1-3-4-12-20-13(18)7(2)14(21-12)19-11-5-8(15)9(16)6-10(11)17/h5-6H,3-4H2,1-2H3,(H3,18,19,20,21)
InChIKeyDIHMDFRVGMBVGP-UHFFFAOYSA-N
MW357.20 g/mol
LogP4.10
Rot. Bonds4

About 4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine

4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 102855436) has the molecular formula C14H15BrF2N4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID102855436
Molecular FormulaC14H15BrF2N4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(Nc2cc(Br)c(F)cc2F)n1
InChIInChI=1S/C14H15BrF2N4/c1-3-4-12-20-13(18)7(2)14(21-12)19-11-5-8(15)9(16)6-10(11)17/h5-6H,3-4H2,1-2H3,(H3,18,19,20,21)
InChIKeyDIHMDFRVGMBVGP-UHFFFAOYSA-N
XLogP4.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-N-(5-bromo-2-fluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80993652
4-N-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80975992
4-N-(2,5-difluorophenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976181
4-N-[2-(dimethylamino)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 106761086
4-N-(5-bromo-2,4-difluorophenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 102855537
4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 82758799
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995143
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80991950
4-N-[2-(methoxymethyl)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80986562
4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80977407
5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 102855605
6-(3-bromo-2,6-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 106943797

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine (CID 102855436) is 4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(Nc2cc(Br)c(F)cc2F)n1.
What is the InChIKey of 4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is DIHMDFRVGMBVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N4/c1-3-4-12-20-13(18)7(2)14(21-12)19-11-5-8(15)9(16)6-10(11)17/h5-6H,3-4H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine?
4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 357.20 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2,4-difluorophenyl)-5-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 102855436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).