4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine

C16H19N3O3 — CID 177308102

IUPAC4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine
SMILESCOc1cc(OC)cc(Oc2ccnc(N3CCCC3)n2)c1
InChIInChI=1S/C16H19N3O3/c1-20-12-9-13(21-2)11-14(10-12)22-15-5-6-17-16(18-15)19-7-3-4-8-19/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyKEFNQDJYCQHGKN-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.89
Rot. Bonds5

About 4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine

4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine (PubChem CID 177308102) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine
PubChem CID177308102
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine
SMILESCOc1cc(OC)cc(Oc2ccnc(N3CCCC3)n2)c1
InChIInChI=1S/C16H19N3O3/c1-20-12-9-13(21-2)11-14(10-12)22-15-5-6-17-16(18-15)19-7-3-4-8-19/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyKEFNQDJYCQHGKN-UHFFFAOYSA-N
XLogP2.89
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 59525896
4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 154575579
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-4-methylazepane
CID 56574045
4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 56556990
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxypyrimidine
CID 18095536
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-piperidin-1-ylpyrimidine
CID 51371060
1-(4-phenoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 122047372
4-chloro-2-pyrrolidin-1-ylpyrimidine;4-ethoxy-2-pyrrolidin-1-ylpyrimidine
CID 161200423
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
6,7-dimethoxy-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 112884051

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine (CID 177308102) is 4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine is COc1cc(OC)cc(Oc2ccnc(N3CCCC3)n2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is KEFNQDJYCQHGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-20-12-9-13(21-2)11-14(10-12)22-15-5-6-17-16(18-15)19-7-3-4-8-19/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine?
4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 301.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenoxy)-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 177308102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).