[3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone

C13H21N5O — CID 72888290

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCC(N(C)C)C2)cn1
InChIInChI=1S/C13H21N5O/c1-4-14-13-15-7-10(8-16-13)12(19)18-6-5-11(9-18)17(2)3/h7-8,11H,4-6,9H2,1-3H3,(H,14,15,16)
InChIKeyDPXPVSILLZKFIQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.68
Rot. Bonds4

About [3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone (PubChem CID 72888290) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
PubChem CID72888290
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCC(N(C)C)C2)cn1
InChIInChI=1S/C13H21N5O/c1-4-14-13-15-7-10(8-16-13)12(19)18-6-5-11(9-18)17(2)3/h7-8,11H,4-6,9H2,1-3H3,(H,14,15,16)
InChIKeyDPXPVSILLZKFIQ-UHFFFAOYSA-N
XLogP0.68
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone (CID 72888290) is [3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone is CCNc1ncc(C(=O)N2CCC(N(C)C)C2)cn1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone?
The InChIKey is DPXPVSILLZKFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-14-13-15-7-10(8-16-13)12(19)18-6-5-11(9-18)17(2)3/h7-8,11H,4-6,9H2,1-3H3,(H,14,15,16).
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 72888290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).