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

C19H21N5O — CID 19135779

IUPAC4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESNc1c(NC2CCCCC2)ncnc1Oc1cccc2cccnc12
InChIInChI=1S/C19H21N5O/c20-16-18(24-14-8-2-1-3-9-14)22-12-23-19(16)25-15-10-4-6-13-7-5-11-21-17(13)15/h4-7,10-12,14H,1-3,8-9,20H2,(H,22,23,24)
InChIKeyZFUSPINEPBKNKS-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.14
Rot. Bonds4

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

4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine (PubChem CID 19135779) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
PubChem CID19135779
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
SMILESNc1c(NC2CCCCC2)ncnc1Oc1cccc2cccnc12
InChIInChI=1S/C19H21N5O/c20-16-18(24-14-8-2-1-3-9-14)22-12-23-19(16)25-15-10-4-6-13-7-5-11-21-17(13)15/h4-7,10-12,14H,1-3,8-9,20H2,(H,22,23,24)
InChIKeyZFUSPINEPBKNKS-UHFFFAOYSA-N
XLogP4.14
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141861
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-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine (CID 19135779) is 4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine is Nc1c(NC2CCCCC2)ncnc1Oc1cccc2cccnc12.
What is the InChIKey of 4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine?
The InChIKey is ZFUSPINEPBKNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c20-16-18(24-14-8-2-1-3-9-14)22-12-23-19(16)25-15-10-4-6-13-7-5-11-21-17(13)15/h4-7,10-12,14H,1-3,8-9,20H2,(H,22,23,24).
What are the key properties of 4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine?
4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine has a molecular weight of 335.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19135779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).