4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine

C17H22N4O — CID 74235800

IUPAC4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCOC(C)c1cccc(-c2cc(N3CCCC3)nc(N)n2)c1
InChIInChI=1S/C17H22N4O/c1-12(22-2)13-6-5-7-14(10-13)15-11-16(20-17(18)19-15)21-8-3-4-9-21/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyPBRFUMBQYBETTB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.03
Rot. Bonds4

About 4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine

4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 74235800) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID74235800
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCOC(C)c1cccc(-c2cc(N3CCCC3)nc(N)n2)c1
InChIInChI=1S/C17H22N4O/c1-12(22-2)13-6-5-7-14(10-13)15-11-16(20-17(18)19-15)21-8-3-4-9-21/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyPBRFUMBQYBETTB-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-nitrophenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 142998023
4-methoxy-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidin-2-amine
CID 122560088
2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine
CID 126424979
4-[3-(morpholin-4-ylmethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 74244355
4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 25129879
4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 11267697
4-[2-amino-6-(azepan-1-yl)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 58504496
6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid
CID 122571574
4-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]-6-piperidin-1-ylpyrimidin-2-amine
CID 59924747
4-(10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 177378766
4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 50948381
4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine
CID 11280824

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 74235800) is 4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine is COC(C)c1cccc(-c2cc(N3CCCC3)nc(N)n2)c1.
What is the InChIKey of 4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is PBRFUMBQYBETTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(22-2)13-6-5-7-14(10-13)15-11-16(20-17(18)19-15)21-8-3-4-9-21/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine?
4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxyethyl)phenyl]-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 74235800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).