2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine

C21H23ClN4O — CID 112937667

IUPAC2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C21H23ClN4O/c1-4-26(5-2)20-14-17(15-9-7-6-8-10-15)23-21(25-20)24-18-13-16(22)11-12-19(18)27-3/h6-14H,4-5H2,1-3H3,(H,23,24,25)
InChIKeyMEYGHMFMPUBORA-UHFFFAOYSA-N
MW382.90 g/mol
LogP5.40
Rot. Bonds7

About 2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine

2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine (PubChem CID 112937667) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
PubChem CID112937667
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)nc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C21H23ClN4O/c1-4-26(5-2)20-14-17(15-9-7-6-8-10-15)23-21(25-20)24-18-13-16(22)11-12-19(18)27-3/h6-14H,4-5H2,1-3H3,(H,23,24,25)
InChIKeyMEYGHMFMPUBORA-UHFFFAOYSA-N
XLogP5.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.90
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937674
4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932591
2-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937029
2-N-(2,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937696
2-N-(3,4-difluorophenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937704
3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966974
3-N-(5-chloro-2-methoxyphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962390
methyl 3-[[4-(diethylamino)-6-phenylpyrimidin-2-yl]amino]benzoate
CID 112937685
4-N-benzyl-2-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915556
2-N-[3-(dimethylamino)propyl]-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112936187
N,N-diethyl-2,6-diphenylpyrimidin-4-amine
CID 2057498
2-N,2-N-diethyl-4-N-(2-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937733

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine (CID 112937667) is 2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine is CCN(CC)c1cc(-c2ccccc2)nc(Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
The InChIKey is MEYGHMFMPUBORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-4-26(5-2)20-14-17(15-9-7-6-8-10-15)23-21(25-20)24-18-13-16(22)11-12-19(18)27-3/h6-14H,4-5H2,1-3H3,(H,23,24,25).
What are the key properties of 2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine?
2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine has a molecular weight of 382.90 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-2-methoxyphenyl)-4-N,4-N-diethyl-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112937667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).