3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one

C17H25N5O — CID 126890682

IUPAC3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
SMILESCc1cc(N(C2CC2)C2CCN(C3CCNC3=O)CC2)ncn1
InChIInChI=1S/C17H25N5O/c1-12-10-16(20-11-19-12)22(13-2-3-13)14-5-8-21(9-6-14)15-4-7-18-17(15)23/h10-11,13-15H,2-9H2,1H3,(H,18,23)
InChIKeyPEOCUYQUCAVEGU-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.11
Rot. Bonds4

About 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one

3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one (PubChem CID 126890682) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
PubChem CID126890682
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
SMILESCc1cc(N(C2CC2)C2CCN(C3CCNC3=O)CC2)ncn1
InChIInChI=1S/C17H25N5O/c1-12-10-16(20-11-19-12)22(13-2-3-13)14-5-8-21(9-6-14)15-4-7-18-17(15)23/h10-11,13-15H,2-9H2,1H3,(H,18,23)
InChIKeyPEOCUYQUCAVEGU-UHFFFAOYSA-N
XLogP1.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one (CID 126890682) is 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one is Cc1cc(N(C2CC2)C2CCN(C3CCNC3=O)CC2)ncn1.
What is the InChIKey of 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is PEOCUYQUCAVEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-10-16(20-11-19-12)22(13-2-3-13)14-5-8-21(9-6-14)15-4-7-18-17(15)23/h10-11,13-15H,2-9H2,1H3,(H,18,23).
What are the key properties of 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one?
3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 315.42 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 3-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 126890682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).