2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C24H24Cl2N4O — CID 70201413

IUPAC2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C24H24Cl2N4O/c1-15-9-22(30-23(28-15)13-21(29-30)24(2,3)4)27-14-16-5-7-19(8-6-16)31-20-11-17(25)10-18(26)12-20/h5-13,27H,14H2,1-4H3
InChIKeyRMXDDMCBMMQPAR-UHFFFAOYSA-N
MW455.39 g/mol
LogP7.05
Rot. Bonds5

About 2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70201413) has the molecular formula C24H24Cl2N4O and a molecular weight of 455.39 g/mol. Its IUPAC name is 2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70201413
Molecular FormulaC24H24Cl2N4O
Molecular Weight455.39 g/mol
Exact Mass454.13
IUPAC Name2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)n2nc(C(C)(C)C)cc2n1
InChIInChI=1S/C24H24Cl2N4O/c1-15-9-22(30-23(28-15)13-21(29-30)24(2,3)4)27-14-16-5-7-19(8-6-16)31-20-11-17(25)10-18(26)12-20/h5-13,27H,14H2,1-4H3
InChIKeyRMXDDMCBMMQPAR-UHFFFAOYSA-N
XLogP7.05
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63550550
2-ethyl-5-methyl-N-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22432588
2-tert-butyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818883
N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1441056
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
[4-[[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methanol
CID 56901779
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853
4-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]benzenesulfonamide
CID 70717745
N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 18406994
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1441069
2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079784
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917733

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70201413) is 2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)n2nc(C(C)(C)C)cc2n1.
What is the InChIKey of 2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RMXDDMCBMMQPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O/c1-15-9-22(30-23(28-15)13-21(29-30)24(2,3)4)27-14-16-5-7-19(8-6-16)31-20-11-17(25)10-18(26)12-20/h5-13,27H,14H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 455.39 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[[4-(3,5-dichlorophenoxy)phenyl]methyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70201413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).