5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine

C18H26N4O2 — CID 59598757

IUPAC5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cc2cc(OC)c(OC)cc2C(C)C)c(N)n1
InChIInChI=1S/C18H26N4O2/c1-6-20-18-21-10-13(17(19)22-18)7-12-8-15(23-4)16(24-5)9-14(12)11(2)3/h8-11H,6-7H2,1-5H3,(H3,19,20,21,22)
InChIKeyJFPCGLRXHUAHLZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.22
Rot. Bonds7

About 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine

5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 59598757) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
PubChem CID59598757
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cc2cc(OC)c(OC)cc2C(C)C)c(N)n1
InChIInChI=1S/C18H26N4O2/c1-6-20-18-21-10-13(17(19)22-18)7-12-8-15(23-4)16(24-5)9-14(12)11(2)3/h8-11H,6-7H2,1-5H3,(H3,19,20,21,22)
InChIKeyJFPCGLRXHUAHLZ-UHFFFAOYSA-N
XLogP3.22
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 11660966
2-N-benzyl-5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 11675544
2-N-benzyl-5-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 59598548
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-N-ethyl-2-methylsulfonylpyrimidin-4-amine;ethane
CID 143114358
5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 159079833
5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-4-propan-2-ylbenzonitrile
CID 59598688
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 59598540
N-ethyl-5-[(5-methoxy-4-methyl-2-propan-2-ylphenyl)methyl]-2-methylsulfonylpyrimidin-4-amine
CID 58207816
2-N-benzyl-5-(4,5-dimethoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 59598713
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-N-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 59598768
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine
CID 67334066
5-(5-chloro-4-methoxy-2-propan-2-ylphenoxy)-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 137412810

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine (CID 59598757) is 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine is CCNc1ncc(Cc2cc(OC)c(OC)cc2C(C)C)c(N)n1.
What is the InChIKey of 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is JFPCGLRXHUAHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-6-20-18-21-10-13(17(19)22-18)7-12-8-15(23-4)16(24-5)9-14(12)11(2)3/h8-11H,6-7H2,1-5H3,(H3,19,20,21,22).
What are the key properties of 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine?
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 330.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 59598757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).