N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine

C13H23N3O2 — CID 80876335

IUPACN-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine
SMILESCCCOCCOc1ncnc(NC)c1CCC
InChIInChI=1S/C13H23N3O2/c1-4-6-11-12(14-3)15-10-16-13(11)18-9-8-17-7-5-2/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyDJSOAKRVESAKFH-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.28
Rot. Bonds9

About N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine

N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine (PubChem CID 80876335) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine
PubChem CID80876335
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine
SMILESCCCOCCOc1ncnc(NC)c1CCC
InChIInChI=1S/C13H23N3O2/c1-4-6-11-12(14-3)15-10-16-13(11)18-9-8-17-7-5-2/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyDJSOAKRVESAKFH-UHFFFAOYSA-N
XLogP2.28
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
CID 112590923
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine
CID 80858342
6-[2-(diethylamino)ethoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80871006
N-methyl-6-(2-piperidin-1-ylethoxy)-5-propylpyrimidin-4-amine
CID 80870502
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80819264
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-[(4-methoxyphenyl)methoxy]-N-methyl-5-propylpyrimidin-4-amine
CID 80845675
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
CID 112590958

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine (CID 80876335) is N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine is CCCOCCOc1ncnc(NC)c1CCC.
What is the InChIKey of N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine?
The InChIKey is DJSOAKRVESAKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-6-11-12(14-3)15-10-16-13(11)18-9-8-17-7-5-2/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine?
N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80876335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).