4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine

C17H21N3O — CID 163306506

IUPAC4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine
SMILESCc1nc(N2CC[C@@H](Oc3ccccc3)C2)nc(C)c1C
InChIInChI=1S/C17H21N3O/c1-12-13(2)18-17(19-14(12)3)20-10-9-16(11-20)21-15-7-5-4-6-8-15/h4-8,16H,9-11H2,1-3H3/t16-/m1/s1
InChIKeyGHIHVDXMBWKHPV-MRXNPFEDSA-N
MW283.38 g/mol
LogP3.06
Rot. Bonds3

About 4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine

4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine (PubChem CID 163306506) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine
PubChem CID163306506
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine
SMILESCc1nc(N2CC[C@@H](Oc3ccccc3)C2)nc(C)c1C
InChIInChI=1S/C17H21N3O/c1-12-13(2)18-17(19-14(12)3)20-10-9-16(11-20)21-15-7-5-4-6-8-15/h4-8,16H,9-11H2,1-3H3/t16-/m1/s1
InChIKeyGHIHVDXMBWKHPV-MRXNPFEDSA-N
XLogP3.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethyl-6-(4-pyridin-4-yloxypiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 135111140
(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 126446397
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
2-[4-methyl-6-(4-methylphenyl)-2-(3-phenoxypiperidin-1-yl)pyrimidin-5-yl]pentanoic acid
CID 50995183
(3S)-3-phenoxy-1-phenylpiperidine
CID 153196970
4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine
CID 176574621
2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine
CID 167752337
(7R,9aS)-7-phenoxy-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 71194912
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
2,4-dimethoxy-6-(3-pyridin-3-yloxypiperidin-1-yl)-1,3,5-triazine
CID 166602870
2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide
CID 167876169
4-morpholin-4-yl-6-(4-phenoxypiperidin-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
CID 121350336

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine (CID 163306506) is 4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine is Cc1nc(N2CC[C@@H](Oc3ccccc3)C2)nc(C)c1C.
What is the InChIKey of 4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine?
The InChIKey is GHIHVDXMBWKHPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-13(2)18-17(19-14(12)3)20-10-9-16(11-20)21-15-7-5-4-6-8-15/h4-8,16H,9-11H2,1-3H3/t16-/m1/s1.
What are the key properties of 4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine?
4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine has a molecular weight of 283.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 163306506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).