4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine

C13H25N5 — CID 112908089

IUPAC4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(C)nc(NCCN(C)C)n1
InChIInChI=1S/C13H25N5/c1-5-6-7-14-12-10-11(2)16-13(17-12)15-8-9-18(3)4/h10H,5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyPUTCCUQASYFTMJ-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.97
Rot. Bonds8

About 4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine

4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112908089) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112908089
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(C)nc(NCCN(C)C)n1
InChIInChI=1S/C13H25N5/c1-5-6-7-14-12-10-11(2)16-13(17-12)15-8-9-18(3)4/h10H,5-9H2,1-4H3,(H2,14,15,16,17)
InChIKeyPUTCCUQASYFTMJ-UHFFFAOYSA-N
XLogP1.97
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.97
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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Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine (CID 112908089) is 4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine is CCCCNc1cc(C)nc(NCCN(C)C)n1.
What is the InChIKey of 4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is PUTCCUQASYFTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-5-6-7-14-12-10-11(2)16-13(17-12)15-8-9-18(3)4/h10H,5-9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine?
4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112908089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).