4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine

C19H23N5O — CID 159076421

IUPAC4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc2ccc(Cc3ccc(OC)cc3)nc12
InChIInChI=1S/C19H23N5O/c1-3-4-11-21-18-17-16(23-19(20)24-18)10-7-14(22-17)12-13-5-8-15(25-2)9-6-13/h5-10H,3-4,11-12H2,1-2H3,(H3,20,21,23,24)
InChIKeyKAHQPQWBEZDATE-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.42
Rot. Bonds7

About 4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine

4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 159076421) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID159076421
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc2ccc(Cc3ccc(OC)cc3)nc12
InChIInChI=1S/C19H23N5O/c1-3-4-11-21-18-17-16(23-19(20)24-18)10-7-14(22-17)12-13-5-8-15(25-2)9-6-13/h5-10H,3-4,11-12H2,1-2H3,(H3,20,21,23,24)
InChIKeyKAHQPQWBEZDATE-UHFFFAOYSA-N
XLogP3.42
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.42
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-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine (CID 159076421) is 4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine is CCCCNc1nc(N)nc2ccc(Cc3ccc(OC)cc3)nc12.
What is the InChIKey of 4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is KAHQPQWBEZDATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-4-11-21-18-17-16(23-19(20)24-18)10-7-14(22-17)12-13-5-8-15(25-2)9-6-13/h5-10H,3-4,11-12H2,1-2H3,(H3,20,21,23,24).
What are the key properties of 4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine?
4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 337.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-[(4-methoxyphenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 159076421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).