4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine

C15H17N3O — CID 91633793

IUPAC4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine
SMILESCc1ccc(Oc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C15H17N3O/c1-12-4-6-13(7-5-12)19-15-10-14(16-11-17-15)18-8-2-3-9-18/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyWHYHDAQQKQVPKC-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.18
Rot. Bonds3

About 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine

4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine (PubChem CID 91633793) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine
PubChem CID91633793
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine
SMILESCc1ccc(Oc2cc(N3CCCC3)ncn2)cc1
InChIInChI=1S/C15H17N3O/c1-12-4-6-13(7-5-12)19-15-10-14(16-11-17-15)18-8-2-3-9-18/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyWHYHDAQQKQVPKC-UHFFFAOYSA-N
XLogP3.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[6-(4-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 42806342
ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42806339
4-(3-methylphenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
CID 83287949
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylphenoxy)pyrimidine
CID 850309
4-(3-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
CID 91633843
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
5,5-dimethyl-3-[6-(4-methylphenoxy)pyrimidin-4-yl]imidazolidine-2,4-dione
CID 146289812
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137368
4-(2-fluorophenoxy)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrimidine
CID 83288340
1-[6-(2,4-difluorophenoxy)pyrimidin-4-yl]azepane
CID 83289257
4-(2-chloro-5-methylphenoxy)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
CID 83286971
1-[4-[6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 24715350

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine (CID 91633793) is 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine is Cc1ccc(Oc2cc(N3CCCC3)ncn2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is WHYHDAQQKQVPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-4-6-13(7-5-12)19-15-10-14(16-11-17-15)18-8-2-3-9-18/h4-7,10-11H,2-3,8-9H2,1H3.
What are the key properties of 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine?
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 255.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 91633793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).