4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine

C19H23N5O — CID 135095968

IUPAC4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine
SMILESCc1ccc2cccc(OCCNc3ncc(C)c(N(C)C)n3)c2n1
InChIInChI=1S/C19H23N5O/c1-13-12-21-19(23-18(13)24(3)4)20-10-11-25-16-7-5-6-15-9-8-14(2)22-17(15)16/h5-9,12H,10-11H2,1-4H3,(H,20,21,23)
InChIKeyKMKUUDMGAPWNIO-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.20
Rot. Bonds6

About 4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine

4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine (PubChem CID 135095968) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine
PubChem CID135095968
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine
SMILESCc1ccc2cccc(OCCNc3ncc(C)c(N(C)C)n3)c2n1
InChIInChI=1S/C19H23N5O/c1-13-12-21-19(23-18(13)24(3)4)20-10-11-25-16-7-5-6-15-9-8-14(2)22-17(15)16/h5-9,12H,10-11H2,1-4H3,(H,20,21,23)
InChIKeyKMKUUDMGAPWNIO-UHFFFAOYSA-N
XLogP3.20
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine (CID 135095968) is 4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine is Cc1ccc2cccc(OCCNc3ncc(C)c(N(C)C)n3)c2n1.
What is the InChIKey of 4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine?
The InChIKey is KMKUUDMGAPWNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-12-21-19(23-18(13)24(3)4)20-10-11-25-16-7-5-6-15-9-8-14(2)22-17(15)16/h5-9,12H,10-11H2,1-4H3,(H,20,21,23).
What are the key properties of 4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine?
4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine has a molecular weight of 337.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-trimethyl-2-N-[2-(2-methylquinolin-8-yl)oxyethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 135095968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).