N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

C16H25N3O2 — CID 122096217

IUPACN-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCOCCOCc1ccc(CNC2=NCCCN2C)cc1
InChIInChI=1S/C16H25N3O2/c1-19-9-3-8-17-16(19)18-12-14-4-6-15(7-5-14)13-21-11-10-20-2/h4-7H,3,8-13H2,1-2H3,(H,17,18)
InChIKeyULWCJRZIMARDEZ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.63
Rot. Bonds7

About N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122096217) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122096217
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCOCCOCc1ccc(CNC2=NCCCN2C)cc1
InChIInChI=1S/C16H25N3O2/c1-19-9-3-8-17-16(19)18-12-14-4-6-15(7-5-14)13-21-11-10-20-2/h4-7H,3,8-13H2,1-2H3,(H,17,18)
InChIKeyULWCJRZIMARDEZ-UHFFFAOYSA-N
XLogP1.63
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.63
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

1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969271
1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydro-1,3-diazepin-2-amine;hydroiodide
CID 154799371
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971952
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096000
1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969601
1-methyl-N-[(4-methyl-3-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122095638
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753
4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969161
N-[[4-[2-(2-methoxyethoxy)ethoxymethyl]phenyl]methyl]propan-2-amine
CID 104566770
1-methyl-N-(2H-tetrazol-5-ylmethyl)-5,6-dihydro-4H-pyrimidin-2-amine
CID 130884716
1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970144
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969999

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 122096217) is N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is COCCOCc1ccc(CNC2=NCCCN2C)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is ULWCJRZIMARDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-19-9-3-8-17-16(19)18-12-14-4-6-15(7-5-14)13-21-11-10-20-2/h4-7H,3,8-13H2,1-2H3,(H,17,18).
What are the key properties of N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 291.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122096217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).