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

C13H23N3O — CID 80861209

IUPACN-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OC(C)(C)C
InChIInChI=1S/C13H23N3O/c1-6-8-10-11(14-7-2)15-9-16-12(10)17-13(3,4)5/h9H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyRTVXZJJYPSFEBX-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.04
Rot. Bonds5

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

N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine (PubChem CID 80861209) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
PubChem CID80861209
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1OC(C)(C)C
InChIInChI=1S/C13H23N3O/c1-6-8-10-11(14-7-2)15-9-16-12(10)17-13(3,4)5/h9H,6-8H2,1-5H3,(H,14,15,16)
InChIKeyRTVXZJJYPSFEBX-UHFFFAOYSA-N
XLogP3.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794971
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-propylpyrimidin-4-amine
CID 112590923
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-(3,5-dimethylcyclohexyl)oxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80871703
6-(2,3-dimethylphenoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80866931
N-ethyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propylpyrimidin-4-amine
CID 80879280
N-ethyl-6-(3-methoxycyclohexyl)oxy-5-propylpyrimidin-4-amine
CID 80880199
6-[(2-bromophenyl)methoxy]-N-ethyl-5-propylpyrimidin-4-amine
CID 82808450
N-ethyl-6-(3-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80881870
6-(2,5-dimethylpyrazol-3-yl)oxy-N-ethyl-5-propylpyrimidin-4-amine
CID 81346872

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine (CID 80861209) is N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1OC(C)(C)C.
What is the InChIKey of N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine?
The InChIKey is RTVXZJJYPSFEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-8-10-11(14-7-2)15-9-16-12(10)17-13(3,4)5/h9H,6-8H2,1-5H3,(H,14,15,16).
What are the key properties of N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine?
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80861209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).