[1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C17H27N5O — CID 56712264

IUPAC[1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCNc1ncc(CN2CCC(C(=O)N3CCCC3)CC2)cn1
InChIInChI=1S/C17H27N5O/c1-2-18-17-19-11-14(12-20-17)13-21-9-5-15(6-10-21)16(23)22-7-3-4-8-22/h11-12,15H,2-10,13H2,1H3,(H,18,19,20)
InChIKeyDTLZEXJKHDYPBP-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.74
Rot. Bonds5

About [1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56712264) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is [1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID56712264
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name[1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCNc1ncc(CN2CCC(C(=O)N3CCCC3)CC2)cn1
InChIInChI=1S/C17H27N5O/c1-2-18-17-19-11-14(12-20-17)13-21-9-5-15(6-10-21)16(23)22-7-3-4-8-22/h11-12,15H,2-10,13H2,1H3,(H,18,19,20)
InChIKeyDTLZEXJKHDYPBP-UHFFFAOYSA-N
XLogP1.74
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 56712264) is [1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is CCNc1ncc(CN2CCC(C(=O)N3CCCC3)CC2)cn1.
What is the InChIKey of [1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DTLZEXJKHDYPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-2-18-17-19-11-14(12-20-17)13-21-9-5-15(6-10-21)16(23)22-7-3-4-8-22/h11-12,15H,2-10,13H2,1H3,(H,18,19,20).
What are the key properties of [1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 317.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(ethylamino)pyrimidin-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56712264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).