N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine

C14H25N3O2 — CID 112590923

IUPACN-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1OCCOC(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-6-7-11-12(15-5)16-10-17-13(11)18-8-9-19-14(2,3)4/h10H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyWSHGORMHKQJCOS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.66
Rot. Bonds7

About N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine

N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine (PubChem CID 112590923) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
PubChem CID112590923
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NC)ncnc1OCCOC(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-6-7-11-12(15-5)16-10-17-13(11)18-8-9-19-14(2,3)4/h10H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyWSHGORMHKQJCOS-UHFFFAOYSA-N
XLogP2.66
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.66
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

5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
CID 112590958
N-methyl-6-(2-propoxyethoxy)-5-propylpyrimidin-4-amine
CID 80876335
6-heptoxy-N-methyl-5-propylpyrimidin-4-amine
CID 80861395
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
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
CID 80861209
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794971

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine (CID 112590923) is N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine is CCCc1c(NC)ncnc1OCCOC(C)(C)C.
What is the InChIKey of N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine?
The InChIKey is WSHGORMHKQJCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-7-11-12(15-5)16-10-17-13(11)18-8-9-19-14(2,3)4/h10H,6-9H2,1-5H3,(H,15,16,17).
What are the key properties of N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine?
N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine has a molecular weight of 267.37 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 112590923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).