4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine

C16H15N5O — CID 19135970

IUPAC4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESC=CCNc1ncnc(Oc2cccc3cccnc23)c1N
InChIInChI=1S/C16H15N5O/c1-2-8-19-15-13(17)16(21-10-20-15)22-12-7-3-5-11-6-4-9-18-14(11)12/h2-7,9-10H,1,8,17H2,(H,19,20,21)
InChIKeyCWHOCYQGHSXBIW-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.00
Rot. Bonds5

About 4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine

4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine (PubChem CID 19135970) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
PubChem CID19135970
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESC=CCNc1ncnc(Oc2cccc3cccnc23)c1N
InChIInChI=1S/C16H15N5O/c1-2-8-19-15-13(17)16(21-10-20-15)22-12-7-3-5-11-6-4-9-18-14(11)12/h2-7,9-10H,1,8,17H2,(H,19,20,21)
InChIKeyCWHOCYQGHSXBIW-UHFFFAOYSA-N
XLogP3.00
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141836
4-N-[2-(cyclohexen-1-yl)ethyl]-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141740
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-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 22547806
4-N-(5-chloro-2-pyridinyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141766
4-propan-2-yloxy-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141825
N'-(5-amino-6-quinolin-8-yloxypyrimidin-4-yl)-2-methylbenzohydrazide
CID 19141803
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
5-propyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80874684

Frequently Asked Questions

What is the IUPAC name of 4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine (CID 19135970) is 4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine is C=CCNc1ncnc(Oc2cccc3cccnc23)c1N.
What is the InChIKey of 4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The InChIKey is CWHOCYQGHSXBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-2-8-19-15-13(17)16(21-10-20-15)22-12-7-3-5-11-6-4-9-18-14(11)12/h2-7,9-10H,1,8,17H2,(H,19,20,21).
What are the key properties of 4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine?
4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine has a molecular weight of 293.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19135970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).