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

C17H25N5O2 — CID 92567683

IUPACN-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1cc(N2CCOCC2)nc(NC2CC2)n1)C1CC1
InChIInChI=1S/C17H25N5O2/c23-16(12-1-2-12)18-6-5-14-11-15(22-7-9-24-10-8-22)21-17(20-14)19-13-3-4-13/h11-13H,1-10H2,(H,18,23)(H,19,20,21)
InChIKeyNKTILISFQKAPAY-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.96
Rot. Bonds7

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

N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide (PubChem CID 92567683) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide
PubChem CID92567683
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1cc(N2CCOCC2)nc(NC2CC2)n1)C1CC1
InChIInChI=1S/C17H25N5O2/c23-16(12-1-2-12)18-6-5-14-11-15(22-7-9-24-10-8-22)21-17(20-14)19-13-3-4-13/h11-13H,1-10H2,(H,18,23)(H,19,20,21)
InChIKeyNKTILISFQKAPAY-UHFFFAOYSA-N
XLogP0.96
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide (CID 92567683) is N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide is O=C(NCCc1cc(N2CCOCC2)nc(NC2CC2)n1)C1CC1.
What is the InChIKey of N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is NKTILISFQKAPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-16(12-1-2-12)18-6-5-14-11-15(22-7-9-24-10-8-22)21-17(20-14)19-13-3-4-13/h11-13H,1-10H2,(H,18,23)(H,19,20,21).
What are the key properties of N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide?
N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 92567683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).