N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine

C16H29N3O — CID 80862141

IUPACN-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine
SMILESCCCCCCC(C)Oc1ncnc(NC)c1CCC
InChIInChI=1S/C16H29N3O/c1-5-7-8-9-11-13(3)20-16-14(10-6-2)15(17-4)18-12-19-16/h12-13H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyWRMWWQXQTSYYCW-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.21
Rot. Bonds10

About N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine

N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine (PubChem CID 80862141) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine
PubChem CID80862141
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine
SMILESCCCCCCC(C)Oc1ncnc(NC)c1CCC
InChIInChI=1S/C16H29N3O/c1-5-7-8-9-11-13(3)20-16-14(10-6-2)15(17-4)18-12-19-16/h12-13H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyWRMWWQXQTSYYCW-UHFFFAOYSA-N
XLogP4.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
6-but-3-yn-2-yloxy-N-methyl-5-propylpyrimidin-4-amine
CID 106795427
N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine
CID 80858342
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
4-chloro-5-methyl-6-octan-2-yloxypyrimidine
CID 55231392
6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine
CID 80882614
N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine
CID 80988210
6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 80839230
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
CID 112590923
6-[2-(diethylamino)ethoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80871006

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine (CID 80862141) is N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine is CCCCCCC(C)Oc1ncnc(NC)c1CCC.
What is the InChIKey of N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine?
The InChIKey is WRMWWQXQTSYYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-7-8-9-11-13(3)20-16-14(10-6-2)15(17-4)18-12-19-16/h12-13H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine?
N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80862141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).