6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine

C14H26N4 — CID 80800865

IUPAC6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine
SMILESCCCCCCC(C)Nc1ncnc(NC)c1C
InChIInChI=1S/C14H26N4/c1-5-6-7-8-9-11(2)18-14-12(3)13(15-4)16-10-17-14/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyMDXXLDNFNBLILR-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.60
Rot. Bonds8

About 6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine (PubChem CID 80800865) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine
PubChem CID80800865
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine
SMILESCCCCCCC(C)Nc1ncnc(NC)c1C
InChIInChI=1S/C14H26N4/c1-5-6-7-8-9-11(2)18-14-12(3)13(15-4)16-10-17-14/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18)
InChIKeyMDXXLDNFNBLILR-UHFFFAOYSA-N
XLogP3.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897379
3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179964
5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
CID 80822887
6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783731
4-N-[1-(diethylamino)propan-2-yl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80817047
6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
CID 80843830
4-N-hexan-3-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80821693
N-undecan-2-ylquinazolin-4-amine
CID 86111387
5-iodo-N-octan-2-ylpyrimidin-4-amine
CID 66340775
N-heptan-2-ylquinazolin-4-amine
CID 54950682
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80803176
3,6-dimethyl-N-octan-2-ylpyrazin-2-amine
CID 65417975

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine (CID 80800865) is 6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine is CCCCCCC(C)Nc1ncnc(NC)c1C.
What is the InChIKey of 6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine?
The InChIKey is MDXXLDNFNBLILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-6-7-8-9-11(2)18-14-12(3)13(15-4)16-10-17-14/h10-11H,5-9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80800865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).