5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine

C17H19N5O — CID 58827001

IUPAC5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine
SMILESCc1cccc2cc(Oc3cnc(N)nc3N)c(C(C)C)nc12
InChIInChI=1S/C17H19N5O/c1-9(2)14-12(23-13-8-20-17(19)22-16(13)18)7-11-6-4-5-10(3)15(11)21-14/h4-9H,1-3H3,(H4,18,19,20,22)
InChIKeyYSHQGOYVFOYVOZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.41
Rot. Bonds3

About 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine

5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine (PubChem CID 58827001) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine
PubChem CID58827001
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine
SMILESCc1cccc2cc(Oc3cnc(N)nc3N)c(C(C)C)nc12
InChIInChI=1S/C17H19N5O/c1-9(2)14-12(23-13-8-20-17(19)22-16(13)18)7-11-6-4-5-10(3)15(11)21-14/h4-9H,1-3H3,(H4,18,19,20,22)
InChIKeyYSHQGOYVFOYVOZ-UHFFFAOYSA-N
XLogP3.41
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Cp-724714
CID 9874913
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
Vuf5574
CID 4046493
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinazolin-2-amine
CID 10068521
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10316876
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16747960
n-Methyl-8-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinolin-2-amine
CID 16748211
5-[(1E)-(methoxyimino)methyl]-6-(quinolin-6-yloxy)pyrimidin-4-amine
CID 23644667
5-[(1E)-(methoxyimino)methyl]-6-(quinolin-7-yloxy)pyrimidin-4-amine
CID 23646046

Frequently Asked Questions

What is the IUPAC name of 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine?
The IUPAC name of 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine (CID 58827001) is 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine?
The canonical SMILES for 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine is Cc1cccc2cc(Oc3cnc(N)nc3N)c(C(C)C)nc12.
What is the InChIKey of 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine?
The InChIKey is YSHQGOYVFOYVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-9(2)14-12(23-13-8-20-17(19)22-16(13)18)7-11-6-4-5-10(3)15(11)21-14/h4-9H,1-3H3,(H4,18,19,20,22).
What are the key properties of 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine?
5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine has a molecular weight of 309.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methyl-2-propan-2-ylquinolin-3-yl)oxypyrimidine-2,4-diamine is sourced from PubChem (CID 58827001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).