N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide

C25H29N5O2 — CID 122297288

IUPACN-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)n2)cc1)c1ccccc1
InChIInChI=1S/C25H29N5O2/c1-3-22(19-7-5-4-6-8-19)25(31)29-21-11-9-20(10-12-21)28-23-17-24(27-18(2)26-23)30-13-15-32-16-14-30/h4-12,17,22H,3,13-16H2,1-2H3,(H,29,31)(H,26,27,28)
InChIKeyLPXSNMABWCVKFS-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.50
Rot. Bonds7

About N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide

N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide (PubChem CID 122297288) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
PubChem CID122297288
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)n2)cc1)c1ccccc1
InChIInChI=1S/C25H29N5O2/c1-3-22(19-7-5-4-6-8-19)25(31)29-21-11-9-20(10-12-21)28-23-17-24(27-18(2)26-23)30-13-15-32-16-14-30/h4-12,17,22H,3,13-16H2,1-2H3,(H,29,31)(H,26,27,28)
InChIKeyLPXSNMABWCVKFS-UHFFFAOYSA-N
XLogP4.50
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide
CID 122291533
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxypropanamide
CID 122297268
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 122297260
2-(2-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122297387
(2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 7593356
1-(2-fluorophenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748155
2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122297275
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenylbutanamide
CID 122325653
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122297365
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 122297382
3-cyclopentyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 122297331

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide?
The IUPAC name of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide (CID 122297288) is N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide?
The canonical SMILES for N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide is CCC(C(=O)Nc1ccc(Nc2cc(N3CCOCC3)nc(C)n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide?
The InChIKey is LPXSNMABWCVKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-3-22(19-7-5-4-6-8-19)25(31)29-21-11-9-20(10-12-21)28-23-17-24(27-18(2)26-23)30-13-15-32-16-14-30/h4-12,17,22H,3,13-16H2,1-2H3,(H,29,31)(H,26,27,28).
What are the key properties of N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide?
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide has a molecular weight of 431.54 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenylbutanamide is sourced from PubChem (CID 122297288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).