6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine

C18H21N5 — CID 166632022

IUPAC6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc2ccc(Cc3ccccc3)nc12
InChIInChI=1S/C18H21N5/c1-2-3-11-20-17-16-15(22-18(19)23-17)10-9-14(21-16)12-13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H3,19,20,22,23)
InChIKeyUUNDMUCYGRLGDE-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.41
Rot. Bonds6

About 6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine

6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 166632022) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID166632022
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc2ccc(Cc3ccccc3)nc12
InChIInChI=1S/C18H21N5/c1-2-3-11-20-17-16-15(22-18(19)23-17)10-9-14(21-16)12-13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H3,19,20,22,23)
InChIKeyUUNDMUCYGRLGDE-UHFFFAOYSA-N
XLogP3.41
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 5546
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Pd 158780
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N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Revaprazan
CID 204104
N-Methylquipazine
CID 5013
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
NSC 23766 trihydrochloride
CID 16759159

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine (CID 166632022) is 6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine is CCCCNc1nc(N)nc2ccc(Cc3ccccc3)nc12.
What is the InChIKey of 6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is UUNDMUCYGRLGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-3-11-20-17-16-15(22-18(19)23-17)10-9-14(21-16)12-13-7-5-4-6-8-13/h4-10H,2-3,11-12H2,1H3,(H3,19,20,22,23).
What are the key properties of 6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine?
6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 307.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-N-butylpyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 166632022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).