4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine

C17H22N4O — CID 122560088

IUPAC4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine
SMILESCOc1cc(-c2cccc(C(C)N3CCCC3)c2)nc(N)n1
InChIInChI=1S/C17H22N4O/c1-12(21-8-3-4-9-21)13-6-5-7-14(10-13)15-11-16(22-2)20-17(18)19-15/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyPBXNCHMSPVVGIK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.89
Rot. Bonds4

About 4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine

4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine (PubChem CID 122560088) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine
PubChem CID122560088
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine
SMILESCOc1cc(-c2cccc(C(C)N3CCCC3)c2)nc(N)n1
InChIInChI=1S/C17H22N4O/c1-12(21-8-3-4-9-21)13-6-5-7-14(10-13)15-11-16(22-2)20-17(18)19-15/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyPBXNCHMSPVVGIK-UHFFFAOYSA-N
XLogP2.89
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 125442859
3-methoxy-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
CID 126437933
4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 74235800
4-methoxy-6-phenylpyrimidin-2-amine
CID 676910
7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 99926894
5-methoxy-1-methyl-3-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole
CID 121497591
3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
CID 77092102
2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
CID 95124127
3-(1-methylimidazol-2-yl)-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyridazine
CID 126441558
3-methylsulfanyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-1,2,4-triazole
CID 126427612
2-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 122565779

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine (CID 122560088) is 4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine is COc1cc(-c2cccc(C(C)N3CCCC3)c2)nc(N)n1.
What is the InChIKey of 4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine?
The InChIKey is PBXNCHMSPVVGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(21-8-3-4-9-21)13-6-5-7-14(10-13)15-11-16(22-2)20-17(18)19-15/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine?
4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 122560088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).