5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine

C14H18N4O2 — CID 11097745

IUPAC5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(C(C)c2cnc(N)nc2N)cc1OC
InChIInChI=1S/C14H18N4O2/c1-8(10-7-17-14(16)18-13(10)15)9-4-5-11(19-2)12(6-9)20-3/h4-8H,1-3H3,(H4,15,16,17,18)
InChIKeyBJRKJMXXXKAWNY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.81
Rot. Bonds4

About 5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine

5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 11097745) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID11097745
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(C(C)c2cnc(N)nc2N)cc1OC
InChIInChI=1S/C14H18N4O2/c1-8(10-7-17-14(16)18-13(10)15)9-4-5-11(19-2)12(6-9)20-3/h4-8H,1-3H3,(H4,15,16,17,18)
InChIKeyBJRKJMXXXKAWNY-UHFFFAOYSA-N
XLogP1.81
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-benzofuran-2-yl-(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 54329815
5-(1-pyrimidin-5-ylethyl)pyrimidine-2,4-diamine
CID 174718912
5-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4,5-triamine
CID 516684
1,2-dimethoxy-4-[1-(4-methylphenyl)ethyl]benzene
CID 57200665
5-(5-iodo-4-methoxy-2-propan-2-ylphenyl)peroxypyrimidine-2,4-diamine
CID 87725645
4-[1-(3,4-dimethoxyphenyl)ethyl]benzene-1,2-diol
CID 174965052
6-[1-(2,5-dimethoxyphenyl)ethyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 20978629
5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 69180694
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350
5-[1-(3,4-dimethoxyphenyl)-2-nitroethyl]pyrimidine-2,4,6-triamine
CID 177380622
4-(6-bromo-3-methoxy-2-pyridinyl)-5-propan-2-ylpyrimidin-2-amine
CID 122486173
(3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559005

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine (CID 11097745) is 5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine is COc1ccc(C(C)c2cnc(N)nc2N)cc1OC.
What is the InChIKey of 5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is BJRKJMXXXKAWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8(10-7-17-14(16)18-13(10)15)9-4-5-11(19-2)12(6-9)20-3/h4-8H,1-3H3,(H4,15,16,17,18).
What are the key properties of 5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine?
5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 274.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 11097745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).