4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine

C9H17N5 — CID 80784820

IUPAC4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
SMILESCCCCNc1cc(NC)nc(N)n1
InChIInChI=1S/C9H17N5/c1-3-4-5-12-8-6-7(11-2)13-9(10)14-8/h6H,3-5H2,1-2H3,(H4,10,11,12,13,14)
InChIKeySMEBAPAZIWZOAR-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.31
Rot. Bonds5

About 4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine

4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80784820) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID80784820
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
SMILESCCCCNc1cc(NC)nc(N)n1
InChIInChI=1S/C9H17N5/c1-3-4-5-12-8-6-7(11-2)13-9(10)14-8/h6H,3-5H2,1-2H3,(H4,10,11,12,13,14)
InChIKeySMEBAPAZIWZOAR-UHFFFAOYSA-N
XLogP1.31
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
4-N-butyl-6-fluoropyrimidine-2,4-diamine
CID 2780461
4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80817210
4-[[2-amino-6-(butylamino)pyrimidin-4-yl]amino]butanoic acid
CID 122058445
4-[[2-amino-6-(butylamino)pyrimidin-4-yl]amino]-2,2-dimethylbutanoic acid
CID 122126419
6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine
CID 80791770
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 114133534
4-N-butyl-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 24745833

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine (CID 80784820) is 4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine is CCCCNc1cc(NC)nc(N)n1.
What is the InChIKey of 4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is SMEBAPAZIWZOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-3-4-5-12-8-6-7(11-2)13-9(10)14-8/h6H,3-5H2,1-2H3,(H4,10,11,12,13,14).
What are the key properties of 4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine?
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 195.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80784820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).