6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine

C18H20BrCl3N4 — CID 10254503

IUPAC6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Br)cc2Cl)c1Cl
InChIInChI=1S/C18H20BrCl3N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)
InChIKeyMSESHEJJCVRUAX-UHFFFAOYSA-N
MW478.65 g/mol
LogP6.88
Rot. Bonds7

About 6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine

6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine (PubChem CID 10254503) has the molecular formula C18H20BrCl3N4 and a molecular weight of 478.65 g/mol. Its IUPAC name is 6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine
PubChem CID10254503
Molecular FormulaC18H20BrCl3N4
Molecular Weight478.65 g/mol
Exact Mass475.99
IUPAC Name6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine
SMILESCCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Br)cc2Cl)c1Cl
InChIInChI=1S/C18H20BrCl3N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25)
InChIKeyMSESHEJJCVRUAX-UHFFFAOYSA-N
XLogP6.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.65
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

5-Chloro-N4-(cyclopropylmethyl)-2-methyl-N4-propyl-N6-(2,4,6-trichlorophenyl)-4,6-pyrimidinediamine
CID 176157
N-Cyclopropylmethyl-2,5-dimethyl-N-propyl-N''-(2,4,6-trichloro-phenyl)-pyrimidine-4,6-diamine
CID 9801874
5-Chloro-4-(N-(cyclopropyl)methyl-N-propylamino)-2-methyl-6-(2,4,6-trichlorophenyl)aminopyridine
CID 45073446
5-bromo-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 10028059
5-chloro-4-N-(cyclopropylmethyl)-6-N-(2,6-dichloro-4-iodophenyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine
CID 10346761
4-N-(cyclopropylmethyl)-6-N,2,5-trimethyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 10502620
4-N-(cyclopropylmethyl)-5-ethyl-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 10550438
4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 10573027
4-N-(cyclopropylmethyl)-6-methyl-4-N-propyl-2-N-(2,4,6-trichlorophenyl)pyrimidine-2,4-diamine
CID 10573028
2-N-(4-bromo-2,6-dichlorophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine
CID 10646364
2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 10787254
4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 44266581

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine (CID 10254503) is 6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine is CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Br)cc2Cl)c1Cl.
What is the InChIKey of 6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine?
The InChIKey is MSESHEJJCVRUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrCl3N4/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25).
What are the key properties of 6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine?
6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine has a molecular weight of 478.65 g/mol, XLogP of 6.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-bromo-2,6-dichlorophenyl)-5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 10254503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).