4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine

C14H23N3O — CID 133376942

IUPAC4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC2CCC(C)C)n1
InChIInChI=1S/C14H23N3O/c1-11(2)6-7-12-5-4-10-17(12)14-15-9-8-13(16-14)18-3/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyVDKHSPWFELBYKB-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.89
Rot. Bonds5

About 4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine

4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 133376942) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine
PubChem CID133376942
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCC2CCC(C)C)n1
InChIInChI=1S/C14H23N3O/c1-11(2)6-7-12-5-4-10-17(12)14-15-9-8-13(16-14)18-3/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyVDKHSPWFELBYKB-UHFFFAOYSA-N
XLogP2.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62591275
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 55243745
2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63767242
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine
CID 62587593
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-propan-2-yloxypyrimidine
CID 112639218
1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 112638856
4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 95764298
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
2-[(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
CID 97075977
4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 95317595
[1-(4-ethoxypyrimidin-2-yl)piperidin-2-yl]methanamine
CID 112638544

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine (CID 133376942) is 4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine is COc1ccnc(N2CCCC2CCC(C)C)n1.
What is the InChIKey of 4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is VDKHSPWFELBYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)6-7-12-5-4-10-17(12)14-15-9-8-13(16-14)18-3/h8-9,11-12H,4-7,10H2,1-3H3.
What are the key properties of 4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine?
4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 249.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 133376942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).