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

C18H27N5O3 — CID 110225639

IUPACN-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1cc(N2CCOCC2)nc(NC2CC2)n1)C1CCCO1
InChIInChI=1S/C18H27N5O3/c24-17(15-2-1-9-26-15)19-6-5-14-12-16(23-7-10-25-11-8-23)22-18(21-14)20-13-3-4-13/h12-13,15H,1-11H2,(H,19,24)(H,20,21,22)
InChIKeyUOIJSWHVNFCOIC-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.73
Rot. Bonds7

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

N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide (PubChem CID 110225639) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide
PubChem CID110225639
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1cc(N2CCOCC2)nc(NC2CC2)n1)C1CCCO1
InChIInChI=1S/C18H27N5O3/c24-17(15-2-1-9-26-15)19-6-5-14-12-16(23-7-10-25-11-8-23)22-18(21-14)20-13-3-4-13/h12-13,15H,1-11H2,(H,19,24)(H,20,21,22)
InChIKeyUOIJSWHVNFCOIC-UHFFFAOYSA-N
XLogP0.73
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide (CID 110225639) is N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide is O=C(NCCc1cc(N2CCOCC2)nc(NC2CC2)n1)C1CCCO1.
What is the InChIKey of N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is UOIJSWHVNFCOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c24-17(15-2-1-9-26-15)19-6-5-14-12-16(23-7-10-25-11-8-23)22-18(21-14)20-13-3-4-13/h12-13,15H,1-11H2,(H,19,24)(H,20,21,22).
What are the key properties of N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide?
N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 110225639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).