2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine

C17H29N7 — CID 148836551

IUPAC2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine
SMILESCCCCNc1nc(NC)c2nc(NCC)nc(CCCC)c2n1
InChIInChI=1S/C17H29N7/c1-5-8-10-12-13-14(23-16(21-12)19-7-3)15(18-4)24-17(22-13)20-11-9-6-2/h5-11H2,1-4H3,(H,19,21,23)(H2,18,20,22,24)
InChIKeyOURXAFGJZTVYFL-UHFFFAOYSA-N
MW331.47 g/mol
LogP3.45
Rot. Bonds10

About 2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine

2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine (PubChem CID 148836551) has the molecular formula C17H29N7 and a molecular weight of 331.47 g/mol. Its IUPAC name is 2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine
PubChem CID148836551
Molecular FormulaC17H29N7
Molecular Weight331.47 g/mol
Exact Mass331.25
IUPAC Name2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine
SMILESCCCCNc1nc(NC)c2nc(NCC)nc(CCCC)c2n1
InChIInChI=1S/C17H29N7/c1-5-8-10-12-13-14(23-16(21-12)19-7-3)15(18-4)24-17(22-13)20-11-9-6-2/h5-11H2,1-4H3,(H,19,21,23)(H2,18,20,22,24)
InChIKeyOURXAFGJZTVYFL-UHFFFAOYSA-N
XLogP3.45
TPSA87.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine (CID 148836551) is 2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine is CCCCNc1nc(NC)c2nc(NCC)nc(CCCC)c2n1.
What is the InChIKey of 2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine?
The InChIKey is OURXAFGJZTVYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7/c1-5-8-10-12-13-14(23-16(21-12)19-7-3)15(18-4)24-17(22-13)20-11-9-6-2/h5-11H2,1-4H3,(H,19,21,23)(H2,18,20,22,24).
What are the key properties of 2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine?
2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine has a molecular weight of 331.47 g/mol, XLogP of 3.45, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-dibutyl-6-N-ethyl-4-N-methylpyrimido[5,4-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 148836551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).