N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C14H21N3O — CID 51131466

IUPACN-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCOCc1ccc(CNC2=NCCCN2)cc1
InChIInChI=1S/C14H21N3O/c1-2-18-11-13-6-4-12(5-7-13)10-17-14-15-8-3-9-16-14/h4-7H,2-3,8-11H2,1H3,(H2,15,16,17)
InChIKeySPVVRJKGDVHUCC-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.66
Rot. Bonds5

About N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 51131466) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID51131466
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCCOCc1ccc(CNC2=NCCCN2)cc1
InChIInChI=1S/C14H21N3O/c1-2-18-11-13-6-4-12(5-7-13)10-17-14-15-8-3-9-16-14/h4-7H,2-3,8-11H2,1H3,(H2,15,16,17)
InChIKeySPVVRJKGDVHUCC-UHFFFAOYSA-N
XLogP1.66
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 51131466) is N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is CCOCc1ccc(CNC2=NCCCN2)cc1.
What is the InChIKey of N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is SPVVRJKGDVHUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-18-11-13-6-4-12(5-7-13)10-17-14-15-8-3-9-16-14/h4-7H,2-3,8-11H2,1H3,(H2,15,16,17).
What are the key properties of N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 247.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 51131466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).