N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C15H23N3O — CID 111824393

IUPACN-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCC(CNC1=NCCCN1)Oc1ccccc1C
InChIInChI=1S/C15H23N3O/c1-3-13(11-18-15-16-9-6-10-17-15)19-14-8-5-4-7-12(14)2/h4-5,7-8,13H,3,6,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyFEPZNCAQVXVODH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 111824393) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID111824393
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCC(CNC1=NCCCN1)Oc1ccccc1C
InChIInChI=1S/C15H23N3O/c1-3-13(11-18-15-16-9-6-10-17-15)19-14-8-5-4-7-12(14)2/h4-5,7-8,13H,3,6,9-11H2,1-2H3,(H2,16,17,18)
InChIKeyFEPZNCAQVXVODH-UHFFFAOYSA-N
XLogP2.09
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-phenyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide
CID 110913651
N-(2-phenylpropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913758
N-[2-(4-methylphenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111465522
N-[2-(2-methylphenoxy)butyl]-2-propan-2-ylaniline
CID 54800392
N-butan-2-yl-2-(2-methylphenoxy)butan-1-amine
CID 46736333
3-chloro-4-methyl-N-[2-(2-methylphenoxy)butyl]aniline
CID 54797627
2-N,2-N-diethyl-1-N-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,2-diamine
CID 110915360
2-[2-(2-methylphenoxy)butylamino]-3H-quinazolin-4-one
CID 137269880
1-(2-chlorophenyl)-N,N-diethyl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;hydroiodide
CID 75418967
N-[2-(2,6-dichlorophenyl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110928130
2-(2-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045581
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110915673

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 111824393) is N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine is CCC(CNC1=NCCCN1)Oc1ccccc1C.
What is the InChIKey of N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is FEPZNCAQVXVODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-13(11-18-15-16-9-6-10-17-15)19-14-8-5-4-7-12(14)2/h4-5,7-8,13H,3,6,9-11H2,1-2H3,(H2,16,17,18).
What are the key properties of N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenoxy)butyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 111824393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).