N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine

C13H21N3O — CID 114108518

IUPACN-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCCC1(CNc2cc(OC)nc(C)n2)CCC1
InChIInChI=1S/C13H21N3O/c1-4-13(6-5-7-13)9-14-11-8-12(17-3)16-10(2)15-11/h8H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyRROODKPTTBGCED-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.79
Rot. Bonds5

About N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine

N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 114108518) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID114108518
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCCC1(CNc2cc(OC)nc(C)n2)CCC1
InChIInChI=1S/C13H21N3O/c1-4-13(6-5-7-13)9-14-11-8-12(17-3)16-10(2)15-11/h8H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyRROODKPTTBGCED-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(chloromethyl)cyclopentyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 115363600
2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162300
N-[(1-ethylcyclopentyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 114125759
6-ethoxy-2-methyl-N-[(1-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 66327746
6-methoxy-2-methyl-N-(1-methylcyclopentyl)pyrimidin-4-amine
CID 66326081
N-[(4-ethylcyclohexyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66324640
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]ethanol
CID 66325251
N-(2-ethoxy-2-methylpropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 114942912
6-methoxy-2-methyl-N-octylpyrimidin-4-amine
CID 113337456
6-methoxy-N-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpyrimidin-4-amine
CID 121013131
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66332895
6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66327743

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine (CID 114108518) is N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine is CCC1(CNc2cc(OC)nc(C)n2)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is RROODKPTTBGCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-13(6-5-7-13)9-14-11-8-12(17-3)16-10(2)15-11/h8H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine?
N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 114108518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).