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

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Related Compounds

[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 137336198
2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 114600755
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 80799994
2-[(4-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 113224733
2-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80821237
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone
CID 115677837
2-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrimidine-4-carbonitrile
CID 107545115
1-piperidin-1-yl-2-(2,4,5-trifluoroanilino)ethanone
CID 55118306
2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone
CID 115279721
5-fluoro-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80766794
1-(azepan-1-yl)-2-(2,5-difluoro-4-methylanilino)ethanone
CID 103585764
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676

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).