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

C11H21N5 — CID 80836329

IUPAC4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
SMILESCCCCCCNc1cc(NC)nc(N)n1
InChIInChI=1S/C11H21N5/c1-3-4-5-6-7-14-10-8-9(13-2)15-11(12)16-10/h8H,3-7H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyDQEGDEZKRJKTFQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.09
Rot. Bonds7

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

4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80836329) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID80836329
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
SMILESCCCCCCNc1cc(NC)nc(N)n1
InChIInChI=1S/C11H21N5/c1-3-4-5-6-7-14-10-8-9(13-2)15-11(12)16-10/h8H,3-7H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyDQEGDEZKRJKTFQ-UHFFFAOYSA-N
XLogP2.09
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.09
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-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-decyl-6-methylpyrimidine-2,4-diamine
CID 80855252
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
4-N-[4-(dimethylamino)butyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80817210
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969
4-N-dodecyl-6-methoxypyrimidine-2,4-diamine
CID 91378772
6-methoxy-4-N-nonylpyrimidine-2,4-diamine
CID 91451166
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
6-methoxy-4-N-nonadecylpyrimidine-2,4-diamine
CID 91279272
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-butoxy-4-N-dodecylpyrimidine-2,4-diamine
CID 91022427

Frequently Asked Questions

What is the IUPAC name of 4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine (CID 80836329) is 4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine is CCCCCCNc1cc(NC)nc(N)n1.
What is the InChIKey of 4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is DQEGDEZKRJKTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-4-5-6-7-14-10-8-9(13-2)15-11(12)16-10/h8H,3-7H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine?
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 223.32 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80836329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).