[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone

C19H24FN5O — CID 137336198

IUPAC[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCN(C)c1nc(NCc2ccc(C(=O)N3CCCCC3)cc2)ncc1F
InChIInChI=1S/C19H24FN5O/c1-24(2)17-16(20)13-22-19(23-17)21-12-14-6-8-15(9-7-14)18(26)25-10-4-3-5-11-25/h6-9,13H,3-5,10-12H2,1-2H3,(H,21,22,23)
InChIKeyQQIQVUQLKVOJTJ-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.92
Rot. Bonds5

About [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone

[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone (PubChem CID 137336198) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone
PubChem CID137336198
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone
SMILESCN(C)c1nc(NCc2ccc(C(=O)N3CCCCC3)cc2)ncc1F
InChIInChI=1S/C19H24FN5O/c1-24(2)17-16(20)13-22-19(23-17)21-12-14-6-8-15(9-7-14)18(26)25-10-4-3-5-11-25/h6-9,13H,3-5,10-12H2,1-2H3,(H,21,22,23)
InChIKeyQQIQVUQLKVOJTJ-UHFFFAOYSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]-1-pyrrolidin-1-ylethanone
CID 137341603
2-fluoro-5-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]benzoic acid
CID 166247937
azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044
1-[4-[2-[(4-fluorophenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254612
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249928
[4-[[(2-chloro-4-pyridinyl)amino]methyl]phenyl]-piperidin-1-ylmethanone
CID 133373184
1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36513862
4-bromo-2-methyl-5-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridazin-3-one
CID 133303079
methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate
CID 133432389
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide
CID 112798825

Frequently Asked Questions

What is the IUPAC name of [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone (CID 137336198) is [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone is CN(C)c1nc(NCc2ccc(C(=O)N3CCCCC3)cc2)ncc1F.
What is the InChIKey of [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is QQIQVUQLKVOJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-24(2)17-16(20)13-22-19(23-17)21-12-14-6-8-15(9-7-14)18(26)25-10-4-3-5-11-25/h6-9,13H,3-5,10-12H2,1-2H3,(H,21,22,23).
What are the key properties of [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone?
[4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 357.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]methyl]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 137336198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).