N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C17H20N4O — CID 110915826

IUPACN-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc(COc2ncccc2CNC2=NCCCN2)cc1
InChIInChI=1S/C17H20N4O/c1-2-6-14(7-3-1)13-22-16-15(8-4-9-18-16)12-21-17-19-10-5-11-20-17/h1-4,6-9H,5,10-13H2,(H2,19,20,21)
InChIKeyUJDFVKSNGSPDHO-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.10
Rot. Bonds5

About N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110915826) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110915826
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc(COc2ncccc2CNC2=NCCCN2)cc1
InChIInChI=1S/C17H20N4O/c1-2-6-14(7-3-1)13-22-16-15(8-4-9-18-16)12-21-17-19-10-5-11-20-17/h1-4,6-9H,5,10-13H2,(H2,19,20,21)
InChIKeyUJDFVKSNGSPDHO-UHFFFAOYSA-N
XLogP2.10
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914871
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915521
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915084
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110917962
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
N-[[2-(methylsulfonylmethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119148482
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110915673
(2-phenylmethoxy-3-pyridinyl)methanol
CID 59210835
N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 126766928
2-[2-(pyridin-4-ylmethoxy)-3-pyridinyl]-1,4,5,6-tetrahydropyrimidine
CID 82247194
N-[[2-(4-chlorophenyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110928080
N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 125422349

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110915826) is N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is c1ccc(COc2ncccc2CNC2=NCCCN2)cc1.
What is the InChIKey of N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is UJDFVKSNGSPDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-6-14(7-3-1)13-22-16-15(8-4-9-18-16)12-21-17-19-10-5-11-20-17/h1-4,6-9H,5,10-13H2,(H2,19,20,21).
What are the key properties of N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 296.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110915826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).