[6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone

C17H20N4O2 — CID 109343605

IUPAC[6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C)cc(Nc2cc(C(=O)N3CCOCC3)ncn2)c1
InChIInChI=1S/C17H20N4O2/c1-12-7-13(2)9-14(8-12)20-16-10-15(18-11-19-16)17(22)21-3-5-23-6-4-21/h7-11H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyAKIHIVANAZPODJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.31
Rot. Bonds3

About [6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone

[6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109343605) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109343605
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C)cc(Nc2cc(C(=O)N3CCOCC3)ncn2)c1
InChIInChI=1S/C17H20N4O2/c1-12-7-13(2)9-14(8-12)20-16-10-15(18-11-19-16)17(22)21-3-5-23-6-4-21/h7-11H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyAKIHIVANAZPODJ-UHFFFAOYSA-N
XLogP2.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-fluoroanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343620
methyl 2-[[6-(morpholine-4-carbonyl)pyrimidin-4-yl]amino]benzoate
CID 109343652
[6-(3,5-dichloroanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341792
[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109345219
6-(3,5-dimethylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340475
[6-(3,5-dimethylanilino)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109354967
N-[4-[[6-(4-acetylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 109346095
[6-(4-methylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109353234
N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109339315
4-[6-(2-chloro-4,6-dimethylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345798
[6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341708
[6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341768

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109343605) is [6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone is Cc1cc(C)cc(Nc2cc(C(=O)N3CCOCC3)ncn2)c1.
What is the InChIKey of [6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is AKIHIVANAZPODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-7-13(2)9-14(8-12)20-16-10-15(18-11-19-16)17(22)21-3-5-23-6-4-21/h7-11H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of [6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dimethylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109343605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).