1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea

C14H23N5O2 — CID 53185741

IUPAC1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea
SMILESCOc1nccnc1N1CCC(N(C)C(=O)NC(C)C)C1
InChIInChI=1S/C14H23N5O2/c1-10(2)17-14(20)18(3)11-5-8-19(9-11)12-13(21-4)16-7-6-15-12/h6-7,10-11H,5,8-9H2,1-4H3,(H,17,20)
InChIKeyORJJLNYKJPECOQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.11
Rot. Bonds4

About 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea

1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea (PubChem CID 53185741) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea
PubChem CID53185741
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea
SMILESCOc1nccnc1N1CCC(N(C)C(=O)NC(C)C)C1
InChIInChI=1S/C14H23N5O2/c1-10(2)17-14(20)18(3)11-5-8-19(9-11)12-13(21-4)16-7-6-15-12/h6-7,10-11H,5,8-9H2,1-4H3,(H,17,20)
InChIKeyORJJLNYKJPECOQ-UHFFFAOYSA-N
XLogP1.11
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea (CID 53185741) is 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea is COc1nccnc1N1CCC(N(C)C(=O)NC(C)C)C1.
What is the InChIKey of 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea?
The InChIKey is ORJJLNYKJPECOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10(2)17-14(20)18(3)11-5-8-19(9-11)12-13(21-4)16-7-6-15-12/h6-7,10-11H,5,8-9H2,1-4H3,(H,17,20).
What are the key properties of 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea?
1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea has a molecular weight of 293.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 53185741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).