4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide

C17H21N5O2 — CID 125436967

IUPAC4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
SMILESCNC(=O)C[C@H](C)N(C)C(=O)c1ccc(-c2nccc(N)n2)cc1
InChIInChI=1S/C17H21N5O2/c1-11(10-15(23)19-2)22(3)17(24)13-6-4-12(5-7-13)16-20-9-8-14(18)21-16/h4-9,11H,10H2,1-3H3,(H,19,23)(H2,18,20,21)/t11-/m0/s1
InChIKeyULRRNLBKFPUGPC-NSHDSACASA-N
MW327.39 g/mol
LogP1.32
Rot. Bonds5

About 4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide

4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide (PubChem CID 125436967) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
PubChem CID125436967
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
SMILESCNC(=O)C[C@H](C)N(C)C(=O)c1ccc(-c2nccc(N)n2)cc1
InChIInChI=1S/C17H21N5O2/c1-11(10-15(23)19-2)22(3)17(24)13-6-4-12(5-7-13)16-20-9-8-14(18)21-16/h4-9,11H,10H2,1-3H3,(H,19,23)(H2,18,20,21)/t11-/m0/s1
InChIKeyULRRNLBKFPUGPC-NSHDSACASA-N
XLogP1.32
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 126446674
1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide
CID 95548821
4-(4-methoxypyrimidin-2-yl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 119060959
4-(3-aminopropoxy)-3-chloro-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 125155803
5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 119061866
4-(4-aminopyrimidin-2-yl)-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 122572625
4-amino-N-butan-2-yl-N-methylbenzamide
CID 43272431
ethyl 4-[4-[[(2S)-4-amino-4-oxobutan-2-yl]-methylcarbamoyl]phenyl]benzoate
CID 126429251
4-(4-aminopyrimidin-2-yl)-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]benzamide
CID 122558446
4-(2-amino-6-methyl-3-pyridinyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126440979
2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 115978164
3-[(4-methoxy-2-pyridinyl)methyl-methylamino]-N-methylbutanamide
CID 91831930

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide?
The IUPAC name of 4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide (CID 125436967) is 4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide is CNC(=O)C[C@H](C)N(C)C(=O)c1ccc(-c2nccc(N)n2)cc1.
What is the InChIKey of 4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide?
The InChIKey is ULRRNLBKFPUGPC-NSHDSACASA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(10-15(23)19-2)22(3)17(24)13-6-4-12(5-7-13)16-20-9-8-14(18)21-16/h4-9,11H,10H2,1-3H3,(H,19,23)(H2,18,20,21)/t11-/m0/s1.
What are the key properties of 4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide?
4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide has a molecular weight of 327.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 125436967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).