2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine

C22H28N4O — CID 153459080

IUPAC2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine
SMILESCOc1ccnc(Nc2ccc3c(C(C)(C)C)cc(C(C)(C)C)nc3c2)n1
InChIInChI=1S/C22H28N4O/c1-21(2,3)16-13-18(22(4,5)6)25-17-12-14(8-9-15(16)17)24-20-23-11-10-19(26-20)27-7/h8-13H,1-7H3,(H,23,24,26)
InChIKeyHMTXFCMVQIPAMG-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.37
Rot. Bonds3

About 2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine

2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine (PubChem CID 153459080) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine.

Molecular Properties

Compound Name2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine
PubChem CID153459080
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine
SMILESCOc1ccnc(Nc2ccc3c(C(C)(C)C)cc(C(C)(C)C)nc3c2)n1
InChIInChI=1S/C22H28N4O/c1-21(2,3)16-13-18(22(4,5)6)25-17-12-14(8-9-15(16)17)24-20-23-11-10-19(26-20)27-7/h8-13H,1-7H3,(H,23,24,26)
InChIKeyHMTXFCMVQIPAMG-UHFFFAOYSA-N
XLogP5.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxypyrimidin-2-yl)-2,3-dimethylquinoxalin-6-amine
CID 170512498
4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine
CID 63214957
3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine
CID 75413994
4-[(4-methoxypyrimidin-2-yl)amino]benzoic acid
CID 43378936
4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine
CID 133347689
N-(2-methoxy-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 66596222
N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine
CID 133285444
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
N-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-4-(4-methylpiperazin-1-yl)quinazolin-7-amine
CID 175169105
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine?
The IUPAC name of 2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine (CID 153459080) is 2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine.
What is the SMILES notation for 2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine?
The canonical SMILES for 2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine is COc1ccnc(Nc2ccc3c(C(C)(C)C)cc(C(C)(C)C)nc3c2)n1.
What is the InChIKey of 2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine?
The InChIKey is HMTXFCMVQIPAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-21(2,3)16-13-18(22(4,5)6)25-17-12-14(8-9-15(16)17)24-20-23-11-10-19(26-20)27-7/h8-13H,1-7H3,(H,23,24,26).
What are the key properties of 2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine?
2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine has a molecular weight of 364.49 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-N-(4-methoxypyrimidin-2-yl)quinolin-7-amine is sourced from PubChem (CID 153459080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).