4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine

C20H23N5O — CID 19141861

IUPAC4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESNc1c(NC2CCCCCC2)ncnc1Oc1cccc2cccnc12
InChIInChI=1S/C20H23N5O/c21-17-19(25-15-9-3-1-2-4-10-15)23-13-24-20(17)26-16-11-5-7-14-8-6-12-22-18(14)16/h5-8,11-13,15H,1-4,9-10,21H2,(H,23,24,25)
InChIKeyOXOMVRSWUYBTFO-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.53
Rot. Bonds4

About 4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine

4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine (PubChem CID 19141861) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
PubChem CID19141861
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESNc1c(NC2CCCCCC2)ncnc1Oc1cccc2cccnc12
InChIInChI=1S/C20H23N5O/c21-17-19(25-15-9-3-1-2-4-10-15)23-13-24-20(17)26-16-11-5-7-14-8-6-12-22-18(14)16/h5-8,11-13,15H,1-4,9-10,21H2,(H,23,24,25)
InChIKeyOXOMVRSWUYBTFO-UHFFFAOYSA-N
XLogP4.53
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135779
4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135970
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141774
4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141836
4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine
CID 19152582
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-N-[2-(cyclohexen-1-yl)ethyl]-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141740
4-propan-2-yloxy-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141825
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
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

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine (CID 19141861) is 4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine is Nc1c(NC2CCCCCC2)ncnc1Oc1cccc2cccnc12.
What is the InChIKey of 4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The InChIKey is OXOMVRSWUYBTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c21-17-19(25-15-9-3-1-2-4-10-15)23-13-24-20(17)26-16-11-5-7-14-8-6-12-22-18(14)16/h5-8,11-13,15H,1-4,9-10,21H2,(H,23,24,25).
What are the key properties of 4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine?
4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine has a molecular weight of 349.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19141861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).