5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine

C15H19N3O3 — CID 163343919

IUPAC5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1ncc(-c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C15H19N3O3/c1-19-7-6-16-15-17-9-12(10-18-15)11-4-5-13(20-2)14(8-11)21-3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyHKDWOFMFHDJFHQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.22
Rot. Bonds7

About 5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine

5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine (PubChem CID 163343919) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
PubChem CID163343919
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1ncc(-c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C15H19N3O3/c1-19-7-6-16-15-17-9-12(10-18-15)11-4-5-13(20-2)14(8-11)21-3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyHKDWOFMFHDJFHQ-UHFFFAOYSA-N
XLogP2.22
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-ethylpyrimidin-2-amine
CID 116977083
6-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-[1,2]thiazolo[4,3-b]pyridin-3-amine
CID 90466190
1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone
CID 163344818
N-ethyl-5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 116977086
3-[[5-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]amino]propanenitrile
CID 116975700
N'-[5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-yl]ethane-1,2-diamine
CID 103278941
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
4-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
CID 134811148
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine
CID 63874532
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 71728692
N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278920
1-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethanol
CID 140896989

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine (CID 163343919) is 5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine is COCCNc1ncc(-c2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
The InChIKey is HKDWOFMFHDJFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-7-6-16-15-17-9-12(10-18-15)11-4-5-13(20-2)14(8-11)21-3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17,18).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine?
5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 163343919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).