5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine

C20H29N3O2 — CID 67365979

IUPAC5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCOc1cc(Cc2c(C)nc(N)nc2C(C)C)c(C(C)C)cc1OC
InChIInChI=1S/C20H29N3O2/c1-11(2)15-10-18(25-7)17(24-6)9-14(15)8-16-13(5)22-20(21)23-19(16)12(3)4/h9-12H,8H2,1-7H3,(H2,21,22,23)
InChIKeyQAFHSBLHVCOCRK-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.22
Rot. Bonds6

About 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine

5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine (PubChem CID 67365979) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
PubChem CID67365979
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
SMILESCOc1cc(Cc2c(C)nc(N)nc2C(C)C)c(C(C)C)cc1OC
InChIInChI=1S/C20H29N3O2/c1-11(2)15-10-18(25-7)17(24-6)9-14(15)8-16-13(5)22-20(21)23-19(16)12(3)4/h9-12H,8H2,1-7H3,(H2,21,22,23)
InChIKeyQAFHSBLHVCOCRK-UHFFFAOYSA-N
XLogP4.22
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-6-ethylpyrimidine-2,4-diamine
CID 67334066
2-amino-3-(4,5-dimethoxy-2-propan-2-ylphenyl)propanoic acid
CID 117421669
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 59598757
5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 159079833
2-N-benzyl-5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 11675544
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 11660966
1-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117379471
5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-4-propan-2-ylbenzonitrile
CID 59598688
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 96668566
(4,5-dimethoxy-2-propan-2-ylphenyl)methanesulfonyl chloride
CID 117472732
4,5-dimethoxy-2-propan-2-ylbenzenethiol
CID 130436084
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N,4-N-diphenylpyrimidine-2,4-diamine
CID 59598540

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine (CID 67365979) is 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine is COc1cc(Cc2c(C)nc(N)nc2C(C)C)c(C(C)C)cc1OC.
What is the InChIKey of 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is QAFHSBLHVCOCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-11(2)15-10-18(25-7)17(24-6)9-14(15)8-16-13(5)22-20(21)23-19(16)12(3)4/h9-12H,8H2,1-7H3,(H2,21,22,23).
What are the key properties of 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine?
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 343.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 67365979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).