4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine

C18H21N5O — CID 19141836

IUPAC4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESCC(C)CCNc1ncnc(Oc2cccc3cccnc23)c1N
InChIInChI=1S/C18H21N5O/c1-12(2)8-10-21-17-15(19)18(23-11-22-17)24-14-7-3-5-13-6-4-9-20-16(13)14/h3-7,9,11-12H,8,10,19H2,1-2H3,(H,21,22,23)
InChIKeyVHHRRLIXKBVUML-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.86
Rot. Bonds6

About 4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine

4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine (PubChem CID 19141836) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
PubChem CID19141836
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESCC(C)CCNc1ncnc(Oc2cccc3cccnc23)c1N
InChIInChI=1S/C18H21N5O/c1-12(2)8-10-21-17-15(19)18(23-11-22-17)24-14-7-3-5-13-6-4-9-20-16(13)14/h3-7,9,11-12H,8,10,19H2,1-2H3,(H,21,22,23)
InChIKeyVHHRRLIXKBVUML-UHFFFAOYSA-N
XLogP3.86
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135970
4-N-[2-(cyclohexen-1-yl)ethyl]-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141740
4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 22547806
4-propan-2-yloxy-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141825
4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141861
4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135779
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141774
4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141766
N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19141820
4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19141886
N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide
CID 19141803
5-propyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80874684

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine (CID 19141836) is 4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine is CC(C)CCNc1ncnc(Oc2cccc3cccnc23)c1N.
What is the InChIKey of 4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The InChIKey is VHHRRLIXKBVUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12(2)8-10-21-17-15(19)18(23-11-22-17)24-14-7-3-5-13-6-4-9-20-16(13)14/h3-7,9,11-12H,8,10,19H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine?
4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine has a molecular weight of 323.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19141836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).