5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine

C23H25Cl2N5O — CID 11851598

IUPAC5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
SMILESClc1cccc(Cl)c1CNc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1
InChIInChI=1S/C23H25Cl2N5O/c24-21-4-3-5-22(25)20(21)16-26-18-14-27-23(28-15-18)29-17-6-8-19(9-7-17)31-13-12-30-10-1-2-11-30/h3-9,14-15,26H,1-2,10-13,16H2,(H,27,28,29)
InChIKeyFVLAHCJRJUPMBD-UHFFFAOYSA-N
MW458.39 g/mol
LogP5.61
Rot. Bonds9

About 5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine

5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine (PubChem CID 11851598) has the molecular formula C23H25Cl2N5O and a molecular weight of 458.39 g/mol. Its IUPAC name is 5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
PubChem CID11851598
Molecular FormulaC23H25Cl2N5O
Molecular Weight458.39 g/mol
Exact Mass457.14
IUPAC Name5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
SMILESClc1cccc(Cl)c1CNc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1
InChIInChI=1S/C23H25Cl2N5O/c24-21-4-3-5-22(25)20(21)16-26-18-14-27-23(28-15-18)29-17-6-8-19(9-7-17)31-13-12-30-10-1-2-11-30/h3-9,14-15,26H,1-2,10-13,16H2,(H,27,28,29)
InChIKeyFVLAHCJRJUPMBD-UHFFFAOYSA-N
XLogP5.61
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.39
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine with MolForge

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Related Compounds

2-chloro-6-methyl-N-[2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-5-yl]benzenesulfonamide
CID 58748683
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156
4-N-benzyl-5-chloro-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;N-benzyl-2,5-dichloropyrimidin-4-amine;4-(2-pyrrolidin-1-ylethoxy)aniline
CID 159954612
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(2-piperidin-1-ylethoxy)aniline
CID 168584019
4-N-[(2-aminophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4,5-triamine
CID 162689433
N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 42623141
5-methyl-4-N-naphthalen-1-yl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 16722731
4-N-(4-chlorophenyl)-4-N,5-dimethyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 44815734
5-methyl-N-[4-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine
CID 175907010
5-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazol-2-amine
CID 11772958
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3-pyrrolidin-1-ylpropoxy)aniline
CID 168584079
7-[3-(1,1-difluoroethyl)phenyl]-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 142948633

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine?
The IUPAC name of 5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine (CID 11851598) is 5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine.
What is the SMILES notation for 5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine?
The canonical SMILES for 5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine is Clc1cccc(Cl)c1CNc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1.
What is the InChIKey of 5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine?
The InChIKey is FVLAHCJRJUPMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5O/c24-21-4-3-5-22(25)20(21)16-26-18-14-27-23(28-15-18)29-17-6-8-19(9-7-17)31-13-12-30-10-1-2-11-30/h3-9,14-15,26H,1-2,10-13,16H2,(H,27,28,29).
What are the key properties of 5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine?
5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine has a molecular weight of 458.39 g/mol, XLogP of 5.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2,6-dichlorophenyl)methyl]-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine is sourced from PubChem (CID 11851598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).