4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine

C18H23N3O2 — CID 125442859

IUPAC4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
SMILESCOc1cc(OC)nc(-c2cccc([C@@H](C)N3CCCC3)c2)n1
InChIInChI=1S/C18H23N3O2/c1-13(21-9-4-5-10-21)14-7-6-8-15(11-14)18-19-16(22-2)12-17(20-18)23-3/h6-8,11-13H,4-5,9-10H2,1-3H3/t13-/m1/s1
InChIKeyRYKZEGPUIVNQGO-CYBMUJFWSA-N
MW313.40 g/mol
LogP3.32
Rot. Bonds5

About 4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine

4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine (PubChem CID 125442859) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
PubChem CID125442859
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
SMILESCOc1cc(OC)nc(-c2cccc([C@@H](C)N3CCCC3)c2)n1
InChIInChI=1S/C18H23N3O2/c1-13(21-9-4-5-10-21)14-7-6-8-15(11-14)18-19-16(22-2)12-17(20-18)23-3/h6-8,11-13H,4-5,9-10H2,1-3H3/t13-/m1/s1
InChIKeyRYKZEGPUIVNQGO-CYBMUJFWSA-N
XLogP3.32
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine
CID 122560088
5-methoxy-1-methyl-3-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole
CID 121497591
3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
CID 126437933
2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
CID 95124127
2-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 122565779
5-ethyl-1-methyl-3-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole;formic acid
CID 172896626
3-methylsulfanyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
CID 126427612
3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
CID 50959459
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol
CID 155497871
N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
CID 77092102
2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 121495759

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine?
The IUPAC name of 4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine (CID 125442859) is 4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine.
What is the SMILES notation for 4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine?
The canonical SMILES for 4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine is COc1cc(OC)nc(-c2cccc([C@@H](C)N3CCCC3)c2)n1.
What is the InChIKey of 4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine?
The InChIKey is RYKZEGPUIVNQGO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(21-9-4-5-10-21)14-7-6-8-15(11-14)18-19-16(22-2)12-17(20-18)23-3/h6-8,11-13H,4-5,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of 4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine?
4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine has a molecular weight of 313.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine is sourced from PubChem (CID 125442859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).