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

C11H22N6 — CID 80817210

IUPAC4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(NCCCCN(C)C)nc(N)n1
InChIInChI=1S/C11H22N6/c1-13-9-8-10(16-11(12)15-9)14-6-4-5-7-17(2)3/h8H,4-7H2,1-3H3,(H4,12,13,14,15,16)
InChIKeyRKKUGJPUPKIJTA-UHFFFAOYSA-N
MW238.34 g/mol
LogP0.85
Rot. Bonds7

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

4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80817210) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID80817210
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine
SMILESCNc1cc(NCCCCN(C)C)nc(N)n1
InChIInChI=1S/C11H22N6/c1-13-9-8-10(16-11(12)15-9)14-6-4-5-7-17(2)3/h8H,4-7H2,1-3H3,(H4,12,13,14,15,16)
InChIKeyRKKUGJPUPKIJTA-UHFFFAOYSA-N
XLogP0.85
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 114133534
4-N-[2-(dimethylamino)ethyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80932754
6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine
CID 80791770
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
4-N-[2-(dimethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933851
4-chloro-6-methylpyrimidin-2-amine;4-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine;N',N'-dimethylpropane-1,3-diamine
CID 161178894
4-N-[4-(dimethylamino)butyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967029
4-N-[4-(dimethylamino)butyl]-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80817211
4-N-(cyclopropylmethyl)-6-N-[2-(dimethylamino)ethyl]pyrimidine-2,4,6-triamine
CID 90909451

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine (CID 80817210) is 4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine is CNc1cc(NCCCCN(C)C)nc(N)n1.
What is the InChIKey of 4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is RKKUGJPUPKIJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-13-9-8-10(16-11(12)15-9)14-6-4-5-7-17(2)3/h8H,4-7H2,1-3H3,(H4,12,13,14,15,16).
What are the key properties of 4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine?
4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 238.34 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80817210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).