4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

C14H26N4O — CID 80819264

IUPAC4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCCOCCNc1ncnc(NC)c1CCC
InChIInChI=1S/C14H26N4O/c1-4-6-9-19-10-8-16-14-12(7-5-2)13(15-3)17-11-18-14/h11H,4-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyVCQVZFBGGPXDCW-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.70
Rot. Bonds10

About 4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80819264) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80819264
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCCOCCNc1ncnc(NC)c1CCC
InChIInChI=1S/C14H26N4O/c1-4-6-9-19-10-8-16-14-12(7-5-2)13(15-3)17-11-18-14/h11H,4-10H2,1-3H3,(H2,15,16,17,18)
InChIKeyVCQVZFBGGPXDCW-UHFFFAOYSA-N
XLogP2.70
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.70
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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Related Compounds

N-(2-butoxyethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63729398
4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80812797
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80903690
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80771977
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80825153
6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 80910998
N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine
CID 80876335
6-chloro-N-(2-ethoxyethyl)-5-propylpyrimidin-4-amine
CID 63730290

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80819264) is 4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is CCCCOCCNc1ncnc(NC)c1CCC.
What is the InChIKey of 4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is VCQVZFBGGPXDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-6-9-19-10-8-16-14-12(7-5-2)13(15-3)17-11-18-14/h11H,4-10H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 266.39 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80819264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).