4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine

C18H21N5O — CID 70856150

IUPAC4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCc1ccc2ccccc2n1
InChIInChI=1S/C18H21N5O/c1-2-3-10-20-17-16(11-21-18(19)23-17)24-12-14-9-8-13-6-4-5-7-15(13)22-14/h4-9,11H,2-3,10,12H2,1H3,(H3,19,20,21,23)
InChIKeyQQHDFMLVPVJIDP-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.40
Rot. Bonds7

About 4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine

4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine (PubChem CID 70856150) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine
PubChem CID70856150
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)ncc1OCc1ccc2ccccc2n1
InChIInChI=1S/C18H21N5O/c1-2-3-10-20-17-16(11-21-18(19)23-17)24-12-14-9-8-13-6-4-5-7-15(13)22-14/h4-9,11H,2-3,10,12H2,1H3,(H3,19,20,21,23)
InChIKeyQQHDFMLVPVJIDP-UHFFFAOYSA-N
XLogP3.40
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
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-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine (CID 70856150) is 4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine is CCCCNc1nc(N)ncc1OCc1ccc2ccccc2n1.
What is the InChIKey of 4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine?
The InChIKey is QQHDFMLVPVJIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-3-10-20-17-16(11-21-18(19)23-17)24-12-14-9-8-13-6-4-5-7-15(13)22-14/h4-9,11H,2-3,10,12H2,1H3,(H3,19,20,21,23).
What are the key properties of 4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine?
4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine has a molecular weight of 323.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-(quinolin-2-ylmethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 70856150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).