2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone

C12H18FN5O — CID 137341603

IUPAC2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone
SMILESCN(C)c1nc(NCC(=O)N2CCCC2)ncc1F
InChIInChI=1S/C12H18FN5O/c1-17(2)11-9(13)7-14-12(16-11)15-8-10(19)18-5-3-4-6-18/h7H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyVUYBGJGHYKJSRX-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.72
Rot. Bonds4

About 2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone

2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 137341603) has the molecular formula C12H18FN5O and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID137341603
Molecular FormulaC12H18FN5O
Molecular Weight267.31 g/mol
Exact Mass267.15
IUPAC Name2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone
SMILESCN(C)c1nc(NCC(=O)N2CCCC2)ncc1F
InChIInChI=1S/C12H18FN5O/c1-17(2)11-9(13)7-14-12(16-11)15-8-10(19)18-5-3-4-6-18/h7H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyVUYBGJGHYKJSRX-UHFFFAOYSA-N
XLogP0.72
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone (CID 137341603) is 2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone is CN(C)c1nc(NCC(=O)N2CCCC2)ncc1F.
What is the InChIKey of 2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is VUYBGJGHYKJSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5O/c1-17(2)11-9(13)7-14-12(16-11)15-8-10(19)18-5-3-4-6-18/h7H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone?
2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 267.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 137341603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).