N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine

C14H18N4O — CID 63121057

IUPACN-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cccc(OCCN)c2)n1
InChIInChI=1S/C14H18N4O/c1-10-8-11(2)17-14(16-10)18-12-4-3-5-13(9-12)19-7-6-15/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,17,18)
InChIKeyNGTXYCLZBJOXJQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.17
Rot. Bonds5

About N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine

N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 63121057) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID63121057
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cccc(OCCN)c2)n1
InChIInChI=1S/C14H18N4O/c1-10-8-11(2)17-14(16-10)18-12-4-3-5-13(9-12)19-7-6-15/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,17,18)
InChIKeyNGTXYCLZBJOXJQ-UHFFFAOYSA-N
XLogP2.17
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787066
N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106998107
N-[3-(2-aminoethoxy)phenyl]-6-ethoxypyridin-2-amine
CID 63590964
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
CID 105367304
N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
CID 170970806
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997
3-(2-aminoethoxy)-N-propan-2-ylsulfanylaniline
CID 143981627
N-[3-(2-aminoethoxy)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63616720
N-[3-(2-aminoethoxy)phenyl]phthalazin-1-amine
CID 63121028
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-methylphenoxy)butanamide
CID 108768505
methyl 6-[3-(2-aminoethoxy)anilino]pyrazine-2-carboxylate
CID 66456161
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
CID 28755028

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine (CID 63121057) is N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(Nc2cccc(OCCN)c2)n1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is NGTXYCLZBJOXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-8-11(2)17-14(16-10)18-12-4-3-5-13(9-12)19-7-6-15/h3-5,8-9H,6-7,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine?
N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 63121057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).