4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine

C19H23N3 — CID 67057689

IUPAC4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine
SMILESC[C@@H]1CCCN1C1CC(c2ccc(-c3ccncn3)cc2)C1
InChIInChI=1S/C19H23N3/c1-14-3-2-10-22(14)18-11-17(12-18)15-4-6-16(7-5-15)19-8-9-20-13-21-19/h4-9,13-14,17-18H,2-3,10-12H2,1H3/t14-,17?,18?/m1/s1
InChIKeySQCJGKDEVGINLE-RWBZWWBESA-N
MW293.41 g/mol
LogP3.87
Rot. Bonds3

About 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine

4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine (PubChem CID 67057689) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine
PubChem CID67057689
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine
SMILESC[C@@H]1CCCN1C1CC(c2ccc(-c3ccncn3)cc2)C1
InChIInChI=1S/C19H23N3/c1-14-3-2-10-22(14)18-11-17(12-18)15-4-6-16(7-5-15)19-8-9-20-13-21-19/h4-9,13-14,17-18H,2-3,10-12H2,1H3/t14-,17?,18?/m1/s1
InChIKeySQCJGKDEVGINLE-RWBZWWBESA-N
XLogP3.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine
CID 67057685
(2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine
CID 67057635
1,3,5-trimethyl-4-[4-[3-(2-methylpyrrolidin-1-yl)cyclobutyl]phenyl]pyrazole
CID 16666835
2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyridazin-3-one
CID 16666784
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrimidine
CID 133396303
1-methyl-6-methylidene-2-[3-(4-phenylphenyl)piperidin-1-yl]-4-pyrimidin-4-ylpyrimidine
CID 142224103
4-[4-(1-adamantyl)phenyl]pyrimidine
CID 174710435
4-[4-(4-bromophenyl)phenyl]pyrimidine
CID 174799643
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline
CID 141092448
4-(3-bromo-5-cyclopropylphenyl)pyrimidine
CID 172992744
[(2R)-1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]cyclohexyl]pyrrolidin-2-yl]methanol
CID 10388404

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine?
The IUPAC name of 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine (CID 67057689) is 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine.
What is the SMILES notation for 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine?
The canonical SMILES for 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine is C[C@@H]1CCCN1C1CC(c2ccc(-c3ccncn3)cc2)C1.
What is the InChIKey of 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine?
The InChIKey is SQCJGKDEVGINLE-RWBZWWBESA-N. The full InChI is InChI=1S/C19H23N3/c1-14-3-2-10-22(14)18-11-17(12-18)15-4-6-16(7-5-15)19-8-9-20-13-21-19/h4-9,13-14,17-18H,2-3,10-12H2,1H3/t14-,17?,18?/m1/s1.
What are the key properties of 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine?
4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine has a molecular weight of 293.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]cyclobutyl]phenyl]pyrimidine is sourced from PubChem (CID 67057689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).