N-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide

C18H27N5O2 — CID 92567674

IUPACN-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1cc(N2CCOCC2)nc(N2CCCC2)n1)C1CC1
InChIInChI=1S/C18H27N5O2/c24-17(14-3-4-14)19-6-5-15-13-16(22-9-11-25-12-10-22)21-18(20-15)23-7-1-2-8-23/h13-14H,1-12H2,(H,19,24)
InChIKeyGEMFAAVWJZANKI-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.98
Rot. Bonds6

About N-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide

N-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide (PubChem CID 92567674) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide
PubChem CID92567674
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1cc(N2CCOCC2)nc(N2CCCC2)n1)C1CC1
InChIInChI=1S/C18H27N5O2/c24-17(14-3-4-14)19-6-5-15-13-16(22-9-11-25-12-10-22)21-18(20-15)23-7-1-2-8-23/h13-14H,1-12H2,(H,19,24)
InChIKeyGEMFAAVWJZANKI-UHFFFAOYSA-N
XLogP0.98
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide (CID 92567674) is N-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide is O=C(NCCc1cc(N2CCOCC2)nc(N2CCCC2)n1)C1CC1.
What is the InChIKey of N-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is GEMFAAVWJZANKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-17(14-3-4-14)19-6-5-15-13-16(22-9-11-25-12-10-22)21-18(20-15)23-7-1-2-8-23/h13-14H,1-12H2,(H,19,24).
What are the key properties of N-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide?
N-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 345.45 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-morpholin-4-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 92567674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).