2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine

C18H25N3O2 — CID 171324251

IUPAC2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2ccnc(C(C)(C)C)n2)cc1OC
InChIInChI=1S/C18H25N3O2/c1-18(2,3)17-19-10-9-16(20-17)21(4)12-13-7-8-14(22-5)15(11-13)23-6/h7-11H,12H2,1-6H3
InChIKeyPMKNYHXVQRQGKR-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.43
Rot. Bonds5

About 2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine

2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 171324251) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine
PubChem CID171324251
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCOc1ccc(CN(C)c2ccnc(C(C)(C)C)n2)cc1OC
InChIInChI=1S/C18H25N3O2/c1-18(2,3)17-19-10-9-16(20-17)21(4)12-13-7-8-14(22-5)15(11-13)23-6/h7-11H,12H2,1-6H3
InChIKeyPMKNYHXVQRQGKR-UHFFFAOYSA-N
XLogP3.43
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 171324265
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 171324276
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 171324254
N-[(3,4-dimethoxyphenyl)methyl]-N,4,6,8-tetramethylquinolin-2-amine
CID 8934386
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
2-tert-butyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 133351061
2-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794622
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222331
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55123362
2-methoxy-5-[[methyl-(6-methyl-2-pyridinyl)amino]methyl]phenol
CID 91651296
4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794760

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine (CID 171324251) is 2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine is COc1ccc(CN(C)c2ccnc(C(C)(C)C)n2)cc1OC.
What is the InChIKey of 2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is PMKNYHXVQRQGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)17-19-10-9-16(20-17)21(4)12-13-7-8-14(22-5)15(11-13)23-6/h7-11H,12H2,1-6H3.
What are the key properties of 2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 171324251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).