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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Related Compounds

5-methoxy-3-pentan-3-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 24816197
2-Ethoxy-1-{4-[(3-methoxypyrazin-2-YL)amino]piperidin-1-YL}ethan-1-one
CID 53185544
N-cyclohexyl-4-[(3-methoxypyrazin-2-yl)amino]piperidine-1-carboxamide
CID 53185573
N-Ethyl-4-[(3-propoxypyrazin-2-YL)amino]piperidine-1-carboxamide
CID 87053026
N-(3-imidazol-1-ylpropyl)-3-methylmorpholine-4-carboxamide
CID 71894161
6-(1-methylpyrrolidin-3-yl)oxy-N-propan-2-ylpyrazin-2-amine
CID 172434791
N-propan-2-yl-3-pyrrolidin-3-yloxypyrazin-2-amine
CID 172438002
N-Cyclopentyl-4-[(3-methoxypyrazin-2-YL)amino]piperidine-1-carboxamide
CID 53185576
N-(3-methoxy-2-pyrazinyl)-N-(4-piperidyl)amine
CID 53185593
4-[(3-Ethoxy-2-pyrazinyl)amino]-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide
CID 87053006
1-(3-Ethoxypyrazin-2-yl)pyrrolidin-3-amine
CID 53185751
N-(3-Methoxypropyl)-4-[(3-methoxypyrazin-2-YL)amino]piperidine-1-carboxamide
CID 53185575

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).